Difference between revisions of "Variables"

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===All Variables (alphabetical order)===
===All Variables (alphabetical order)===
<code>[[Variables#BDmRange|BDmRange]]</code> <code>[[Variables#BEnRange|BEnRange]]</code> <code>[[Variables#BEnSteps|BEnSteps]]</code> <code>[[Variables#BLongDir|BLongDir]]</code> <code>[[Variables#BndsRnXd|BndsRnXd]]</code> <code>[[Variables#BndsRnXp|BndsRnXp]]</code> <code>[[Variables#BoseCut|BoseCut]]</code> <code>[[Variables#BoseTemp|BoseTemp]]</code> <code>[[Variables#BS_CPU|BS_CPU]]</code> <code>[[Variables#BS_nCPU_LinAlg_DIAGO|BS_nCPU_LinAlg_DIAGO]]</code> <br>
<code>[[Variables#BDmRange|BDmRange]]</code> <code>[[Variables#BEnRange|BEnRange]]</code> <code>[[Variables#BEnSteps|BEnSteps]]</code> <code>[[Variables#BLongDir|BLongDir]]</code> <code>[[Variables#BndsRnXd|BndsRnXd]]</code> <code>[[Variables#BndsRnXp|BndsRnXp]]</code> <code>[[Variables#BoseCut|BoseCut]]</code> <code>[[Variables#BoseTemp|BoseTemp]]</code> <br>
<code>[[Variables#BS_nCPU_LinAlg_INV|BS_nCPU_LinAlg_INV]]</code> <code>[[Variables#BS_ROLEs|BS_ROLEs]]</code> <code>[[Variables#bse|bse]]</code> <code>[[Variables#BSEBands|BSEBands]]</code> <code>[[Variables#BSEEhEny|BSEEhEny]]</code> <code>[[Variables#BSEmod|BSEmod]]</code> <code>[[Variables#BSENGBlk|BSENGBlk]]</code> <code>[[Variables#BSENGexx|BSENGexx]]</code> <code>[[Variables#BSEPSInvTrs|BSEPSInvTrs]]</code> <code>[[Variables#BSHayTrs|BSHayTrs]]</code> <br>
<code>[[Variables#BS_CPU|BS_CPU]]</code> <code>[[Variables#BS_nCPU_LinAlg_DIAGO|BS_nCPU_LinAlg_DIAGO]]</code> <code>[[Variables#BS_nCPU_LinAlg_INV|BS_nCPU_LinAlg_INV]]</code> <code>[[Variables#BS_ROLEs|BS_ROLEs]]</code> <code>[[Variables#bse|bse]]</code> <code>[[Variables#BSEBands|BSEBands]]</code> <code>[[Variables#BSEEhEny|BSEEhEny]]</code> <code>[[Variables#BSEmod|BSEmod]]</code> <br>
<code>[[Variables#bsk|bsk]]</code> <code>[[Variables#BSKmod|BSKmod]]</code> <code>[[Variables#BSSInvMode|BSSInvMode]]</code> <code>[[Variables#BSSInvPFratio|BSSInvPFratio]]</code> <code>[[Variables#BSSmod|BSSmod]]</code> <code>[[Variables#CGrdSpXd|CGrdSpXd]]</code> <code>[[Variables#chi|chi]]</code> <code>[[Variables#ChiLinAlgMod|ChiLinAlgMod]]</code> <code>[[Variables#Chimod|Chimod]]</code> <code>[[Variables#cohsex|cohsex]]</code> <br>
<code>[[Variables#BSENGBlk|BSENGBlk]]</code> <code>[[Variables#BSENGexx|BSENGexx]]</code> <code>[[Variables#BSEPSInvTrs|BSEPSInvTrs]]</code> <code>[[Variables#BSHayTrs|BSHayTrs]]</code> <code>[[Variables#bsk|bsk]]</code> <code>[[Variables#BSKmod|BSKmod]]</code> <code>[[Variables#BSSInvMode|BSSInvMode]]</code> <code>[[Variables#BSSInvPFratio|BSSInvPFratio]]</code> <br>
<code>[[Variables#CUTBox|CUTBox]]</code> <code>[[Variables#CUTCol_test|CUTCol_test]]</code> <code>[[Variables#CUTCylLen|CUTCylLen]]</code> <code>[[Variables#CUTGeo|CUTGeo]]</code> <code>[[Variables#CUTRadius|CUTRadius]]</code> <code>[[Variables#CUTwsGvec|CUTwsGvec]]</code> <code>[[Variables#DbGdQsize|DbGdQsize]]</code> <code>[[Variables#DbGdQsize|DbGdQsize]]</code> <code>[[Variables#DBsFRAGpm|DBsFRAGpm]]</code> <code>[[Variables#DBsIOoff|DBsIOoff]]</code> <br>
<code>[[Variables#BSSmod|BSSmod]]</code> <code>[[Variables#CGrdSpXd|CGrdSpXd]]</code> <code>[[Variables#chi|chi]]</code> <code>[[Variables#ChiLinAlgMod|ChiLinAlgMod]]</code> <code>[[Variables#Chimod|Chimod]]</code> <code>[[Variables#cohsex|cohsex]]</code> <code>[[Variables#CUTBox|CUTBox]]</code> <code>[[Variables#CUTCol_test|CUTCol_test]]</code> <br>
<code>[[Variables#DIP_Threads|DIP_Threads]]</code> <code>[[Variables#DipApproach|DipApproach]]</code> <code>[[Variables#DipApproach|DipApproach]]</code> <code>[[Variables#DipPDirect|DipPDirect]]</code> <code>[[Variables#DipPDirect|DipPDirect]]</code> <code>[[Variables#DmERefXd|DmERefXd]]</code> <code>[[Variables#DmRngeXd|DmRngeXd]]</code> <code>[[Variables#DmRngeXp|DmRngeXp]]</code> <code>[[Variables#DrClassic|DrClassic]]</code> <code>[[Variables#DrudeWBS|DrudeWBS]]</code> <br>
<code>[[Variables#CUTCylLen|CUTCylLen]]</code> <code>[[Variables#CUTGeo|CUTGeo]]</code> <code>[[Variables#CUTRadius|CUTRadius]]</code> <code>[[Variables#CUTwsGvec|CUTwsGvec]]</code> <code>[[Variables#DbGdQsize|DbGdQsize]]</code> <code>[[Variables#DbGdQsize|DbGdQsize]]</code> <code>[[Variables#DBsFRAGpm|DBsFRAGpm]]</code> <code>[[Variables#DBsIOoff|DBsIOoff]]</code> <br>
<code>[[Variables#DrudeWXd|DrudeWXd]]</code> <code>[[Variables#dScStep|dScStep]]</code> <code>[[Variables#DysSolver|DysSolver]]</code> <code>[[Variables#EhEngyXd|EhEngyXd]]</code> <code>[[Variables#ElecTemp|ElecTemp]]</code> <code>[[Variables#Em1Anys|Em1Anys]]</code> <code>[[Variables#em1d|em1d]]</code> <code>[[Variables#em1s|em1s]]</code> <code>[[Variables#EMStpsXd|EMStpsXd]]</code> <code>[[Variables#EnRngeXd|EnRngeXd]]</code> <br>
<code>[[Variables#DIP_Threads|DIP_Threads]]</code> <code>[[Variables#DipApproach|DipApproach]]</code> <code>[[Variables#DipApproach|DipApproach]]</code> <code>[[Variables#DipPDirect|DipPDirect]]</code> <code>[[Variables#DipPDirect|DipPDirect]]</code> <code>[[Variables#DmERefXd|DmERefXd]]</code> <code>[[Variables#DmRngeXd|DmRngeXd]]</code> <code>[[Variables#DmRngeXp|DmRngeXp]]</code> <br>
<code>[[Variables#EnRngeXp|EnRngeXp]]</code> <code>[[Variables#ETStpsXd|ETStpsXd]]</code> <code>[[Variables#ETStpsXp|ETStpsXp]]</code> <code>[[Variables#ExtendOut |ExtendOut ]]</code> <code>[[Variables#EXXRLvcs|EXXRLvcs]]</code> <code>[[Variables#FFTGvecs|FFTGvecs]]</code> <code>[[Variables#Gauge|Gauge]]</code> <code>[[Variables#GbndRnge|GbndRnge]]</code> <code>[[Variables#GDamping|GDamping]]</code> <code>[[Variables#GDmRnge|GDmRnge]]</code> <br>
<code>[[Variables#DrClassic|DrClassic]]</code> <code>[[Variables#DrudeWBS|DrudeWBS]]</code> <code>[[Variables#DrudeWXd|DrudeWXd]]</code> <code>[[Variables#dScStep|dScStep]]</code> <code>[[Variables#DysSolver|DysSolver]]</code> <code>[[Variables#EhEngyXd|EhEngyXd]]</code> <code>[[Variables#ElecTemp|ElecTemp]]</code> <code>[[Variables#Em1Anys|Em1Anys]]</code> <br>
<code>[[Variables#GEnRnge|GEnRnge]]</code> <code>[[Variables#GEnSteps|GEnSteps]]</code> <code>[[Variables#GfnQP_E|GfnQP_E]]</code> <code>[[Variables#GfnQP_N|GfnQP_N]]</code> <code>[[Variables#GfnQP_Wc|GfnQP_Wc]]</code> <code>[[Variables#GfnQP_Wc_dos|GfnQP_Wc_dos]]</code> <code>[[Variables#GfnQP_Wc_E|GfnQP_Wc_E]]</code> <code>[[Variables#GfnQP_Wv|GfnQP_Wv]]</code> <code>[[Variables#GfnQP_Wv_dos|GfnQP_Wv_dos]]</code> <code>[[Variables#GfnQP_Wv_E|GfnQP_Wv_E]]</code> <br>
<code>[[Variables#em1d|em1d]]</code> <code>[[Variables#em1s|em1s]]</code> <code>[[Variables#EMStpsXd|EMStpsXd]]</code> <code>[[Variables#EnRngeXd|EnRngeXd]]</code> <code>[[Variables#EnRngeXp|EnRngeXp]]</code> <code>[[Variables#ETStpsXd|ETStpsXd]]</code> <code>[[Variables#ETStpsXp|ETStpsXp]]</code> <code>[[Variables#ExtendOut |ExtendOut ]]</code> <br>
<code>[[Variables#GfnQP_Z|GfnQP_Z]]</code> <code>[[Variables#GfnQPdb|GfnQPdb]]</code> <code>[[Variables#GrFnTpXd|GrFnTpXd]]</code> <code>[[Variables#GTermEn|GTermEn]]</code> <code>[[Variables#GTermKind|GTermKind]]</code> <code>[[Variables#gw0|gw0]]</code> <code>[[Variables#HF_and_locXC|HF_and_locXC]]</code> <code>[[Variables#IDEm1Ref|IDEm1Ref]]</code> <code>[[Variables#IkSigLim|IkSigLim]]</code> <code>[[Variables#IkXLim|IkXLim]]</code> <br>
<code>[[Variables#EXXRLvcs|EXXRLvcs]]</code> <code>[[Variables#FFTGvecs|FFTGvecs]]</code> <code>[[Variables#Gauge|Gauge]]</code> <code>[[Variables#GbndRnge|GbndRnge]]</code> <code>[[Variables#GDamping|GDamping]]</code> <code>[[Variables#GDmRnge|GDmRnge]]</code> <code>[[Variables#GEnRnge|GEnRnge]]</code> <code>[[Variables#GEnSteps|GEnSteps]]</code> <br>
<code>[[Variables#K_Threads|K_Threads]]</code> <code>[[Variables#KfnQP_E|KfnQP_E]]</code> <code>[[Variables#KfnQP_N|KfnQP_N]]</code> <code>[[Variables#KfnQP_Wc|KfnQP_Wc]]</code> <code>[[Variables#KfnQP_Wc_dos|KfnQP_Wc_dos]]</code> <code>[[Variables#KfnQP_Wc_E|KfnQP_Wc_E]]</code> <code>[[Variables#KfnQP_Wv|KfnQP_Wv]]</code> <code>[[Variables#KfnQP_Wv_dos|KfnQP_Wv_dos]]</code> <code>[[Variables#KfnQP_Wv_E|KfnQP_Wv_E]]</code> <code>[[Variables#KfnQP_Z|KfnQP_Z]]</code> <br>
<code>[[Variables#GfnQP_E|GfnQP_E]]</code> <code>[[Variables#GfnQP_N|GfnQP_N]]</code> <code>[[Variables#GfnQP_Wc|GfnQP_Wc]]</code> <code>[[Variables#GfnQP_Wc_dos|GfnQP_Wc_dos]]</code> <code>[[Variables#GfnQP_Wc_E|GfnQP_Wc_E]]</code> <code>[[Variables#GfnQP_Wv|GfnQP_Wv]]</code> <code>[[Variables#GfnQP_Wv_dos|GfnQP_Wv_dos]]</code> <code>[[Variables#GfnQP_Wv_E|GfnQP_Wv_E]]</code> <br>
<code>[[Variables#KfnQPdb|KfnQPdb]]</code> <code>[[Variables#LifeTrCG|LifeTrCG]]</code> <code>[[Variables#LongDrXd|LongDrXd]]</code> <code>[[Variables#LongDrXp|LongDrXp]]</code> <code>[[Variables#LRC_alpha|LRC_alpha]]</code> <code>[[Variables#MaxGvecs|MaxGvecs]]</code> <code>[[Variables#MEM_tresh|MEM_tresh]]</code> <code>[[Variables#MetDamp|MetDamp]]</code> <code>[[Variables#Nelectro|Nelectro]]</code> <code>[[Variables#NewtDchk|NewtDchk]]</code> <br>
<code>[[Variables#GfnQP_Z|GfnQP_Z]]</code> <code>[[Variables#GfnQPdb|GfnQPdb]]</code> <code>[[Variables#GrFnTpXd|GrFnTpXd]]</code> <code>[[Variables#GTermEn|GTermEn]]</code> <code>[[Variables#GTermKind|GTermKind]]</code> <code>[[Variables#gw0|gw0]]</code> <code>[[Variables#HF_and_locXC|HF_and_locXC]]</code> <code>[[Variables#IDEm1Ref|IDEm1Ref]]</code> <br>
<code>[[Variables#NGBlkXd|NGBlkXd]]</code> <code>[[Variables#NLogCPUs|NLogCPUs]]</code> <code>[[Variables#NoCondSumRule|NoCondSumRule]]</code> <code>[[Variables#NonPDirs|NonPDirs]]</code> <code>[[Variables#OccTresh|OccTresh]]</code> <code>[[Variables#OnMassShell |OnMassShell ]]</code> <code>[[Variables#optics|optics]]</code> <code>[[Variables#PAR_def_mode|PAR_def_mode]]</code> <code>[[Variables#PAR_def_mode|PAR_def_mode]]</code> <code>[[Variables#PPAPntXp|PPAPntXp]]</code> <br>
<code>[[Variables#IkSigLim|IkSigLim]]</code> <code>[[Variables#IkXLim|IkXLim]]</code> <code>[[Variables#K_Threads|K_Threads]]</code> <code>[[Variables#KfnQP_E|KfnQP_E]]</code> <code>[[Variables#KfnQP_N|KfnQP_N]]</code> <code>[[Variables#KfnQP_Wc|KfnQP_Wc]]</code> <code>[[Variables#KfnQP_Wc_dos|KfnQP_Wc_dos]]</code> <code>[[Variables#KfnQP_Wc_E|KfnQP_Wc_E]]</code> <br>
<code>[[Variables#Qdirection|Qdirection]]</code> <code>[[Variables#QPerange|QPerange]]</code> <code>[[Variables#QPerange|QPerange]]</code> <code>[[Variables#QpgFull|QpgFull]]</code> <code>[[Variables#QPkrange|QPkrange]]</code> <code>[[Variables#QPkrange|QPkrange]]</code> <code>[[Variables#QpntsRXd|QpntsRXd]]</code> <code>[[Variables#QptCoord|QptCoord]]</code> <code>[[Variables#QShiftOrder|QShiftOrder]]</code> <code>[[Variables#RandGvec|RandGvec]]</code> <br>
<code>[[Variables#KfnQP_Wv|KfnQP_Wv]]</code> <code>[[Variables#KfnQP_Wv_dos|KfnQP_Wv_dos]]</code> <code>[[Variables#KfnQP_Wv_E|KfnQP_Wv_E]]</code> <code>[[Variables#KfnQP_Z|KfnQP_Z]]</code> <code>[[Variables#KfnQPdb|KfnQPdb]]</code> <code>[[Variables#LifeTrCG|LifeTrCG]]</code> <code>[[Variables#LongDrXd|LongDrXd]]</code> <code>[[Variables#LongDrXp|LongDrXp]]</code> <br>
<code>[[Variables#RandQpts|RandQpts]]</code> <code>[[Variables#Reflectivity|Reflectivity]]</code> <code>[[Variables#rim_cut|rim_cut]]</code> <code>[[Variables#SE_CPU|SE_CPU]]</code> <code>[[Variables#SE_ROLEs|SE_ROLEs]]</code> <code>[[Variables#SE_Threads|SE_Threads]]</code> <code>[[Variables#setup|setup]]</code> <code>[[Variables#ShiftedPaths|ShiftedPaths]]</code> <code>[[Variables#ShiftedPaths|ShiftedPaths]]</code> <code>[[Variables#StdoHash|StdoHash]]</code> <br>
<code>[[Variables#LRC_alpha|LRC_alpha]]</code> <code>[[Variables#MaxGvecs|MaxGvecs]]</code> <code>[[Variables#MEM_tresh|MEM_tresh]]</code> <code>[[Variables#MetDamp|MetDamp]]</code> <code>[[Variables#Nelectro|Nelectro]]</code> <code>[[Variables#NewtDchk|NewtDchk]]</code> <code>[[Variables#NGBlkXd|NGBlkXd]]</code> <code>[[Variables#NLogCPUs|NLogCPUs]]</code> <br>
<code>[[Variables#UseNLCC|UseNLCC]]</code> <code>[[Variables#VXCRLvcs|VXCRLvcs]]</code> <code>[[Variables#WehCpl|WehCpl]]</code> <code>[[Variables#WFbuffIO|WFbuffIO]]</code> <code>[[Variables#X_finite_q_CPU|X_finite_q_CPU]]</code> <code>[[Variables#X_finite_q_nCPU_LinAlg_INV|X_finite_q_nCPU_LinAlg_INV]]</code> <code>[[Variables#X_finite_q_ROLEs|X_finite_q_ROLEs]]</code> <code>[[Variables#X_q_0_CPU|X_q_0_CPU]]</code> <code>[[Variables#X_q_0_nCPU_LinAlg_INV|X_q_0_nCPU_LinAlg_INV]]</code> <code>[[Variables#X_q_0_ROLEs|X_q_0_ROLEs]]</code> <br>
<code>[[Variables#NoCondSumRule|NoCondSumRule]]</code> <code>[[Variables#NonPDirs|NonPDirs]]</code> <code>[[Variables#OccTresh|OccTresh]]</code> <code>[[Variables#OnMassShell |OnMassShell ]]</code> <code>[[Variables#optics|optics]]</code> <code>[[Variables#PAR_def_mode|PAR_def_mode]]</code> <code>[[Variables#PAR_def_mode|PAR_def_mode]]</code> <code>[[Variables#PPAPntXp|PPAPntXp]]</code> <br>
<code>[[Variables#X_Threads|X_Threads]]</code> <code>[[Variables#XfnQP_E|XfnQP_E]]</code> <code>[[Variables#XfnQP_N|XfnQP_N]]</code> <code>[[Variables#XfnQP_Wc|XfnQP_Wc]]</code> <code>[[Variables#XfnQP_Wc_dos|XfnQP_Wc_dos]]</code> <code>[[Variables#XfnQP_Wc_E|XfnQP_Wc_E]]</code> <code>[[Variables#XfnQP_Wv|XfnQP_Wv]]</code> <code>[[Variables#XfnQP_Wv_dos|XfnQP_Wv_dos]]</code> <code>[[Variables#XfnQP_Wv_E|XfnQP_Wv_E]]</code> <code>[[Variables#XfnQP_Z|XfnQP_Z]]</code> <br>
<code>[[Variables#Qdirection|Qdirection]]</code> <code>[[Variables#QPerange|QPerange]]</code> <code>[[Variables#QPerange|QPerange]]</code> <code>[[Variables#QpgFull|QpgFull]]</code> <code>[[Variables#QPkrange|QPkrange]]</code> <code>[[Variables#QPkrange|QPkrange]]</code> <code>[[Variables#QpntsRXd|QpntsRXd]]</code> <code>[[Variables#QptCoord|QptCoord]]</code> <br>
<code>[[Variables#QShiftOrder|QShiftOrder]]</code> <code>[[Variables#RandGvec|RandGvec]]</code> <code>[[Variables#RandQpts|RandQpts]]</code> <code>[[Variables#Reflectivity|Reflectivity]]</code> <code>[[Variables#rim_cut|rim_cut]]</code> <code>[[Variables#SE_CPU|SE_CPU]]</code> <code>[[Variables#SE_ROLEs|SE_ROLEs]]</code> <code>[[Variables#SE_Threads|SE_Threads]]</code> <br>
<code>[[Variables#setup|setup]]</code> <code>[[Variables#ShiftedPaths|ShiftedPaths]]</code> <code>[[Variables#ShiftedPaths|ShiftedPaths]]</code> <code>[[Variables#StdoHash|StdoHash]]</code> <code>[[Variables#UseNLCC|UseNLCC]]</code> <code>[[Variables#VXCRLvcs|VXCRLvcs]]</code> <code>[[Variables#WehCpl|WehCpl]]</code> <code>[[Variables#WFbuffIO|WFbuffIO]]</code> <br>
<code>[[Variables#X_finite_q_CPU|X_finite_q_CPU]]</code> <code>[[Variables#X_finite_q_nCPU_LinAlg_INV|X_finite_q_nCPU_LinAlg_INV]]</code> <code>[[Variables#X_finite_q_ROLEs|X_finite_q_ROLEs]]</code> <code>[[Variables#X_q_0_CPU|X_q_0_CPU]]</code> <code>[[Variables#X_q_0_nCPU_LinAlg_INV|X_q_0_nCPU_LinAlg_INV]]</code> <code>[[Variables#X_q_0_ROLEs|X_q_0_ROLEs]]</code> <code>[[Variables#X_Threads|X_Threads]]</code> <code>[[Variables#XfnQP_E|XfnQP_E]]</code> <br>
<code>[[Variables#XfnQP_N|XfnQP_N]]</code> <code>[[Variables#XfnQP_Wc|XfnQP_Wc]]</code> <code>[[Variables#XfnQP_Wc_dos|XfnQP_Wc_dos]]</code> <code>[[Variables#XfnQP_Wc_E|XfnQP_Wc_E]]</code> <code>[[Variables#XfnQP_Wv|XfnQP_Wv]]</code> <code>[[Variables#XfnQP_Wv_dos|XfnQP_Wv_dos]]</code> <code>[[Variables#XfnQP_Wv_E|XfnQP_Wv_E]]</code> <code>[[Variables#XfnQP_Z|XfnQP_Z]]</code> <br>
<code>[[Variables#XfnQPdb|XfnQPdb]]</code> <br>
<code>[[Variables#XfnQPdb|XfnQPdb]]</code> <br>


===Global options===
===Global options===
<span id=Nelectro></span>
<span id=Nelectro></span>
{{var3|Nelectro|||Electrons number|}}
{{var-basic|Nelectro||}}{{var-default|From ns.db1}}{{var-verbosity|gen}}
{{var-short|Electrons number}}
{{var-usage|}}
<span id=ElecTemp></span>
<span id=ElecTemp></span>
{{var3|ElecTemp|||Electronic Temperature|}}
{{var-basic|ElecTemp||}}{{var-verbosity|gen}}
{{var-short|Electronic Temperature}}
{{var-usage|}}
<span id=BoseTemp></span>
<span id=BoseTemp></span>
{{var3|BoseTemp|||Bosonic Temperature|}}
{{var-basic|BoseTemp||}}{{var-verbosity|gen}}
{{var-short|Bosonic Temperature}}
{{var-usage|}}
<span id=OccTresh></span>
<span id=OccTresh></span>
{{var3|OccTresh|||Occupation treshold (metallic bands)|}}
{{var-basic|OccTresh||}}{{var-verbosity|gen}}
{{var-short|Occupation treshold (metallic bands)}}
{{var-usage|}}
<span id=StdoHash></span>
<span id=StdoHash></span>
{{var3|StdoHash||Integer|Number of hashes in live-timing output|}}
{{var-basic|StdoHash||Integer}}{{var-default|40}}{{var-verbosity|io}}
{{var-short|Number of hashes in live-timing output}}
{{var-usage|}}
<span id=DBsIOoff></span>
<span id=DBsIOoff></span>
{{var3|DBsIOoff||String|List of databases not written to disk|Space-separated list of DB with NO I/O. DB is (DIP,X,HF,COLLs,J,GF,CARRIERs,OBS,W,SC,BS,ALL)}}
{{var-basic|DBsIOoff||String}}{{var-verbosity|io}}
{{var-short|List of databases not written to disk}}
{{var-usage|Space-separated list of DB with NO I/O. DB is (DIP,X,HF,COLLs,J,GF,CARRIERs,OBS,W,SC,BS,ALL)}}
<span id=DBsFRAGpm></span>
<span id=DBsFRAGpm></span>
{{var3|DBsFRAGpm||String|List of databases to be fragmented|Space-separated list of +DB to FRAG and -DB to NOT FRAG, where DB is (DIP,X,W,HF,COLLS,K,BS,QINDX,RT,ELP}}
{{var-basic|DBsFRAGpm||String}}{{var-verbosity|io}}
{{var-short|List of databases to be fragmented}}
{{var-usage|Space-separated list of +DB to FRAG and -DB to NOT FRAG, where DB is (DIP,X,W,HF,COLLS,K,BS,QINDX,RT,ELP}}
<span id=WFbuffIO></span>
<span id=WFbuffIO></span>
{{var3|WFbuffIO||||}}
{{var-basic|WFbuffIO||}}{{var-verbosity|io}}
{{var-short|}}
{{var-usage|}}
<span id=MEM_tresh></span>
<span id=MEM_tresh></span>
{{var3|MEM_tresh|||Threshold on traced memory allocations/deallocations|}}
{{var-basic|MEM_tresh||}}{{var-verbosity|gen}}
{{var-short|Threshold on traced memory allocations/deallocations}}
{{var-usage|}}
<span id=NLogCPUs></span>
<span id=NLogCPUs></span>
{{var3|NLogCPUs||||}}
{{var-basic|NLogCPUs||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=PAR_def_mode></span>
<span id=PAR_def_mode></span>
{{var3|PAR_def_mode||||}}
{{var-basic|PAR_def_mode||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=FFTGvecs></span>
<span id=FFTGvecs></span>
{{var3|FFTGvecs|RL/Energy|Integer/Real|Number of G-vectors or energy cut off for expanding the wavefunctions/FFT transforms|It needs careful convergence. Determines the memory needed.}}
{{var-basic|FFTGvecs|RL/Energy|Integer/Real}}{{var-verbosity|RL}}
{{var-short|Number of G-vectors or energy cut off for expanding the wavefunctions/FFT transforms}}
{{var-usage|It needs careful convergence. Determines the memory needed.}}
===Initialization===
===Initialization===
<span id=setup></span>
<span id=setup></span>
{{var3|setup||String|Runlevel name|}}
{{var-basic|setup||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=MaxGvecs></span>
<span id=MaxGvecs></span>
{{var3|MaxGvecs|RL/Energy|Integer/Real|Maximum number of G-vectors that can be used by code|}}
{{var-basic|MaxGvecs|RL/Energy|Integer/Real}}{{var-verbosity|RL}}
{{var-short|Maximum number of G-vectors that can be used by code}}
{{var-usage|}}
<span id=IkSigLim></span>
<span id=IkSigLim></span>
{{var3|IkSigLim|Range|Integer |QP K-points indices range|}}
{{var-basic|IkSigLim|Range|Integer }}{{var-verbosity|kpt}}
{{var-short|QP K-points indices range}}
{{var-usage|}}
<span id=IkXLim></span>
<span id=IkXLim></span>
{{var3|IkXLim||||}}
{{var-basic|IkXLim||}}{{var-verbosity|kpt}}
{{var-short|}}
{{var-usage|}}
<span id=QptCoord></span>
<span id=QptCoord></span>
{{var3|QptCoord||||}}
{{var-basic|QptCoord||}}{{var-verbosity|kpt}}
{{var-short|}}
{{var-usage|}}
===Random integration method and cutoff===
===Random integration method and cutoff===
<span id=rim_cut></span>
<span id=rim_cut></span>
{{var3|rim_cut||String|Runlevel name|}}
{{var-basic|rim_cut||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=RandQpts></span>
<span id=RandQpts></span>
{{var3|RandQpts|RL|Integer|Number of random q-points in the BZ|It needs convergence: values like 10^6 can be used to ensure convergence.}}
{{var-basic|RandQpts|RL|Integer}}
{{var-short|Number of random q-points in the BZ}}
{{var-usage|It needs convergence: values like 10^6 can be used to ensure convergence.}} ''See also:'' <code>[[Variables#RandGvec|RandGvec]]</code>
<span id=CUTGeo></span>
<span id=CUTGeo></span>
{{var3|CUTGeo|None|String|Cutoff geometry|Allowed values are: "box/cylinder/sphere X/Y/Z/XY...", e.g. "box xy" or "cylinder y".}}
{{var-basic|CUTGeo|None|String}}
{{var-short|Cutoff geometry}}
{{var-usage|Allowed values are: "box/cylinder/sphere X/Y/Z/XY...", e.g. "box xy" or "cylinder y".}}
<span id=CUTBox></span>
<span id=CUTBox></span>
{{var3|CUTBox|Length|Vector|Dimensions of box|}}
{{var-basic|CUTBox|Length|Vector}}
{{var-short|Dimensions of box}}
{{var-usage|}}
<span id=CUTRadius></span>
<span id=CUTRadius></span>
{{var3|CUTRadius|Length|Real|Sphere/cylinder radius.|}}
{{var-basic|CUTRadius|Length|Real}}
{{var-short|Sphere/cylinder radius.}}
{{var-usage|}}
<span id=CUTCylLen></span>
<span id=CUTCylLen></span>
{{var3|CUTCylLen||||}}
{{var-basic|CUTCylLen||}}
{{var-short|}}
{{var-usage|}}
<span id=CUTwsGvec></span>
<span id=CUTwsGvec></span>
{{var3|CUTwsGvec||||}}
{{var-basic|CUTwsGvec||}}
{{var-short|}}
{{var-usage|}}
<span id=RandGvec></span>
<span id=RandGvec></span>
{{var3|RandGvec||||}}
{{var-basic|RandGvec||}}{{var-verbosity|RL}}
{{var-short|}}
{{var-usage|}}
<span id=QpgFull></span>
<span id=QpgFull></span>
{{var3|QpgFull||||}}
{{var-basic|QpgFull||}}{{var-verbosity|RL}}
{{var-short|}}
{{var-usage|}}
<span id=Em1Anys></span>
<span id=Em1Anys></span>
{{var3|Em1Anys||||}}
{{var-basic|Em1Anys||}}{{var-verbosity|RL}}
{{var-short|}}
{{var-usage|}}
<span id=IDEm1Ref></span>
<span id=IDEm1Ref></span>
{{var3|IDEm1Ref||||}}
{{var-basic|IDEm1Ref||}}{{var-verbosity|RL}}
{{var-short|}}
{{var-usage|}}
<span id=CUTCol_test></span>
<span id=CUTCol_test></span>
{{var3|CUTCol_test||||}}
{{var-basic|CUTCol_test||}}{{var-verbosity|RL}}
{{var-short|}}
{{var-usage|}}
===Hartree-Fock Self-energy and Vxc===
===Hartree-Fock Self-energy and Vxc===
<span id=HF_and_locXC></span>
<span id=HF_and_locXC></span>
{{var3|HF_and_locXC||String|Runlevel name|}}
{{var-basic|HF_and_locXC||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=EXXRLvcs></span>
<span id=EXXRLvcs></span>
{{var3|EXXRLvcs|RL/Energy|Integer/Real|Number of G-vectors used in the sum of the exchange self-energy Sx.|It needs careful convergence: not particularly time consuming, large values can be used to ensure convergence.}}
{{var-basic|EXXRLvcs|RL/Energy|Integer/Real}}
{{var-short|Number of G-vectors used in the sum of the exchange self-energy Sx.}}
{{var-usage|It needs careful convergence: not particularly time consuming, large values can be used to ensure convergence.}}
<span id=VXCRLvcs></span>
<span id=VXCRLvcs></span>
{{var3|VXCRLvcs||||}}
{{var-basic|VXCRLvcs||}}
{{var-short|}}
{{var-usage|}}
<span id=QPkrange></span>
<span id=QPkrange></span>
{{var3|QPkrange||||}}
{{var-basic|QPkrange||}}
{{var-short|}}
{{var-usage|}}
<span id=UseNLCC></span>
<span id=UseNLCC></span>
{{var3|UseNLCC||||}}
{{var-basic|UseNLCC||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=QPerange></span>
<span id=QPerange></span>
{{var3|QPerange||||}}
{{var-basic|QPerange||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=SE_CPU></span>
<span id=SE_CPU></span>
{{var3|SE_CPU||||}}
{{var-basic|SE_CPU||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=SE_ROLEs></span>
<span id=SE_ROLEs></span>
{{var3|SE_ROLEs||||}}
{{var-basic|SE_ROLEs||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=SE_Threads></span>
<span id=SE_Threads></span>
{{var3|SE_Threads||||}}
{{var-basic|SE_Threads||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
===GW===
===GW===
<span id=cohsex></span>
<span id=cohsex></span>
{{var3|cohsex||String|Runlevel name|}}
{{var-basic|cohsex||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=gw0></span>
<span id=gw0></span>
{{var3|gw0||String|Runlevel name|}}
{{var-basic|gw0||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=QPkrange></span>
<span id=QPkrange></span>
{{var3|QPkrange|None|Range|First and last Indexes of kpoints and bands the self energy correction is calculated|If interested in non consecutive kpoints or bands multiple rows can be also considered}}
{{var-basic|QPkrange|None|Range}}
{{var-short|First and last Indexes of kpoints and bands the self energy correction is calculated}}
{{var-usage|If interested in non consecutive kpoints or bands multiple rows can be also considered}}
<span id=GbndRnge></span>
<span id=GbndRnge></span>
{{var3|GbndRnge|None|Range|Bands range: Specifies the number of bands entering in the sum over states in the correlation part of the self energy|It needs several empty states. Single quasiparticle states converges very slowly with respect GbndRnge, energy differences (e.g. gaps) behave better. See also GTermKind variable in order to speed up the convergences.}}
{{var-basic|GbndRnge|None|Range}}
{{var-short|Bands range: Specifies the number of bands entering in the sum over states in the correlation part of the self energy}}
{{var-usage|It needs several empty states. Single quasiparticle states converges very slowly with respect GbndRnge, energy differences (e.g. gaps) behave better. See also GTermKind variable in order to speed up the convergences.}}
<span id=GDamping></span>
<span id=GDamping></span>
{{var3|GDamping||||}}
{{var-basic|GDamping||}}
{{var-short|}}
{{var-usage|}}
<span id=dScStep></span>
<span id=dScStep></span>
{{var3|dScStep||||}}
{{var-basic|dScStep||}}
{{var-short|}}
{{var-usage|}}
<span id=DysSolver></span>
<span id=DysSolver></span>
{{var3|DysSolver||||}}
{{var-basic|DysSolver||}}
{{var-short|}}
{{var-usage|}}
<span id=LifeTrCG></span>
<span id=LifeTrCG></span>
{{var3|LifeTrCG||||Need -l option}}
{{var-basic|LifeTrCG||}}
{{var-short|}}
{{var-usage|Need -l option}}
<span id=GfnQPdb></span>
<span id=GfnQPdb></span>
{{var3|GfnQPdb|None|String|Database for QP corrections.|From a previous GW calculation. An interpolation of the missing QP-values on the basis of the QP-database is available. To be used for a GW self consistent calcuation.}}
{{var-redirect|GfnQPdb|<code>[[Variables#XfnQPdb|XfnQPdb]]</code>}}
<span id=GfnQP_N></span>
<span id=GfnQP_N></span>
{{var3|GfnQP_N||||}}
{{var-redirect|GfnQP_N|<code>[[Variables#XfnQP_N|XfnQP_N]]</code>}}
<span id=GfnQP_E></span>
<span id=GfnQP_E></span>
{{var3|GfnQP_E||||}}
{{var-redirect|GfnQP_E|<code>[[Variables#XfnQP_E|XfnQP_E]]</code>}}
<span id=GfnQP_Z></span>
<span id=GfnQP_Z></span>
{{var3|GfnQP_Z||||}}
{{var-redirect|GfnQP_Z|<code>[[Variables#XfnQP_Z|XfnQP_Z]]</code>}}
<span id=GfnQP_Wv_E></span>
<span id=GfnQP_Wv_E></span>
{{var3|GfnQP_Wv_E||||}}
{{var-redirect|GfnQP_Wv_E|<code>[[Variables#XfnQP_Wv_E|XfnQP_Wv_E]]</code>}}
<span id=GfnQP_Wv></span>
<span id=GfnQP_Wv></span>
{{var3|GfnQP_Wv||||}}
{{var-redirect|GfnQP_Wv|<code>[[Variables#XfnQP_Wv|XfnQP_Wv]]</code>}}
<span id=GfnQP_Wv_dos></span>
<span id=GfnQP_Wv_dos></span>
{{var3|GfnQP_Wv_dos||||}}
{{var-redirect|GfnQP_Wv_dos|<code>[[Variables#XfnQP_Wv_dos|XfnQP_Wv_dos]]</code>}}
<span id=GfnQP_Wc_E></span>
<span id=GfnQP_Wc_E></span>
{{var3|GfnQP_Wc_E||||}}
{{var-redirect|GfnQP_Wc_E|<code>[[Variables#XfnQP_Wc_E|XfnQP_Wc_E]]</code>}}
<span id=GfnQP_Wc></span>
<span id=GfnQP_Wc></span>
{{var3|GfnQP_Wc||||}}
{{var-redirect|GfnQP_Wc|<code>[[Variables#XfnQP_Wc|XfnQP_Wc]]</code>}}
<span id=GfnQP_Wc_dos></span>
<span id=GfnQP_Wc_dos></span>
{{var3|GfnQP_Wc_dos||||}}
{{var-redirect|GfnQP_Wc_dos|<code>[[Variables#XfnQP_Wc_dos|XfnQP_Wc_dos]]</code>}}
<span id=GTermKind></span>
<span id=GTermKind></span>
{{var3|GTermKind|None|String|Type of terminator to accelarate onvergence with respect empty states|Default is "none", possible options are "BG" for the Bruneval-Gonze terminator. See BG[1]}}
{{var-basic|GTermKind|None|String}}{{var-verbosity|qp}}
{{var-short|Type of terminator to accelarate onvergence with respect empty states}}
{{var-usage|Default is "none", possible options are "BG" for the Bruneval-Gonze terminator. See BG[1]}}
<span id=GTermEn></span>
<span id=GTermEn></span>
{{var3|GTermEn||||}}
{{var-basic|GTermEn||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=NewtDchk></span>
<span id=NewtDchk></span>
{{var3|NewtDchk||||}}
{{var-basic|NewtDchk||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=ExtendOut ></span>
<span id=ExtendOut ></span>
{{var3|ExtendOut |None|Flag|Extended output: Print more quantities in qp output files|Optional variable (-V qp). Uncomment to activate}}
{{var-basic|ExtendOut |None|Flag}}{{var-verbosity|qp}}
{{var-short|Extended output: Print more quantities in qp output files}}
{{var-usage|Optional variable (-V qp). Uncomment to activate}}
<span id=OnMassShell ></span>
<span id=OnMassShell ></span>
{{var3|OnMassShell ||||}}
{{var-basic|OnMassShell ||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=QPerange></span>
<span id=QPerange></span>
{{var3|QPerange||||}}
{{var-basic|QPerange||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=GEnSteps></span>
<span id=GEnSteps></span>
{{var3|GEnSteps|?|||-g s}}
{{var-basic|GEnSteps|?|}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|-g s}}
<span id=GEnRnge></span>
<span id=GEnRnge></span>
{{var3|GEnRnge|?|||-g s}}
{{var-basic|GEnRnge|?|}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|-g s}}
<span id=GDmRnge></span>
<span id=GDmRnge></span>
{{var3|GDmRnge|?|||-g s}}
{{var-basic|GDmRnge|?|}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|-g s}}
===Screening===
===Screening===
<span id=em1d></span>
<span id=em1d></span>
{{var3|em1d||String|Runlevel name|}}
{{var-basic|em1d||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=em1s></span>
<span id=em1s></span>
{{var3|em1s||String|Runlevel name|}}
{{var-basic|em1s||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=NGBlkXd></span>
<span id=NGBlkXd></span>
{{var3|NGBlkXd|RL/Energy|Integer/Real|Number of G-vectors or energy cut off in the screening.|Determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects, it should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.}}
{{var-basic|NGBlkXd|RL/Energy|Integer/Real}}
{{var-short|Number of G-vectors or energy cut off in the screening.}}
{{var-usage|Determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects, it should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.}}
<span id=PPAPntXp></span>
<span id=PPAPntXp></span>
{{var3|PPAPntXp|Energy|Real|Plasmon pole Imaginary Energy (Default 1 Ha)|The self energy in the imaginary axis should be a smooth function so it should not have a strong dependence on this pole energy. Set it at an higher value of the plasmon energy (see EELS spectrum)}}
{{var-basic|PPAPntXp|Energy|Real}}
{{var-short|Plasmon pole Imaginary Energy (Default 1 Ha)}}
{{var-usage|The self energy in the imaginary axis should be a smooth function so it should not have a strong dependence on this pole energy. Set it at an higher value of the plasmon energy (see EELS spectrum)}}
<span id=BndsRnXp></span>
<span id=BndsRnXp></span>
{{var3|BndsRnXp||||}}
{{var-redirect|BndsRnXp|<code>[[Variables#BndsRnXd|BndsRnXd]]</code>}}
<span id=EnRngeXp></span>
<span id=EnRngeXp></span>
{{var3|EnRngeXp||||}}
{{var-redirect|EnRngeXp|<code>[[Variables#EnRngeXd|EnRngeXd]]</code>}}
<span id=DmRngeXp></span>
<span id=DmRngeXp></span>
{{var3|DmRngeXp||||}}
{{var-redirect|DmRngeXp|<code>[[Variables#DmRngeXd|DmRngeXd]]</code>}}
<span id=ETStpsXp></span>
<span id=ETStpsXp></span>
{{var3|ETStpsXp||||}}
{{var-redirect|ETStpsXp|<code>[[Variables#ETStpsXd|ETStpsXd]]</code>}}
<span id=LongDrXp></span>
<span id=LongDrXp></span>
{{var3|LongDrXp||||}}
{{var-redirect|LongDrXp|<code>[[Variables#LongDrXd|LongDrXd]]</code>}}
===Optics/chi in G-space===
===Optics/chi in G-space===
<span id=optics></span>
<span id=optics></span>
{{var3|optics||String|Runlevel name|}}
{{var-basic|optics||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=chi></span>
<span id=chi></span>
{{var3|chi||String|Runlevel name|}}
{{var-basic|chi||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=Chimod></span>
<span id=Chimod></span>
{{var3|Chimod|None|String|Type of kernel in TDDFT Dyson equation|Do not set this manually - set using the appropriate '''-k''' command line option. Allowed values: IP/Hartree/ALDA/LRC/BSfxc. IP indicates no kernel (independent particle level/RPA without local fields)}}
{{var-basic|Chimod|None|String}}
{{var-short|Type of kernel in TDDFT Dyson equation}}
{{var-usage|Do not set this manually - set using the appropriate '''-k''' command line option. Allowed values: IP/Hartree/ALDA/LRC/BSfxc. IP indicates no kernel (independent particle level/RPA without local fields)}}
<span id=X_Threads></span>
<span id=X_Threads></span>
{{var3|X_Threads||||}}
{{var-basic|X_Threads||}}
{{var-short|}}
{{var-usage|}}
<span id=DIP_Threads></span>
<span id=DIP_Threads></span>
{{var3|DIP_Threads||||}}
{{var-basic|DIP_Threads||}}
{{var-short|}}
{{var-usage|}}
<span id=QpntsRXd></span>
<span id=QpntsRXd></span>
{{var3|QpntsRXd|None|Range|Range of indexes of q-points/transferred momenta to be computed.|Set to 1 1 to select just the long wavelength term.}}
{{var-basic|QpntsRXd|None|Range}}
{{var-short|Range of indexes of q-points/transferred momenta to be computed.}}
{{var-usage|Set to 1 1 to select just the long wavelength term.}}
<span id=BndsRnXd></span>
<span id=BndsRnXd></span>
{{var3|BndsRnXd|None|Range|Bands range: Specifies the number of bands entering in the sum over states in the RPA response function|It needs several empty states. See also GTermKind variable in order to speed up the convergences.}}
{{var-basic|BndsRnXd|None|Range}}
{{var-short|Bands range: Specifies the number of bands entering in the sum over states in the RPA response function}}
{{var-usage|It needs several empty states. See also GTermKind variable in order to speed up the convergences.}} ''See also:'' <code>[[Variables#GTermKind|GTermKind]]</code>
<span id=EnRngeXd></span>
<span id=EnRngeXd></span>
{{var3|EnRngeXd|Energy|Range|Energy range the spectrum is calculated across.|Extremae of the energy range across which optical spectra will be computed.}}
{{var-basic|EnRngeXd|Energy|Range}}
{{var-short|Energy range the spectrum is calculated across.}}
{{var-usage|Extremae of the energy range across which optical spectra will be computed.}}
<span id=DmRngeXd></span>
<span id=DmRngeXd></span>
{{var3|DmRngeXd|Energy|Range|Determines the damping used across the requested spectral range.|Typically this is kept constant. If different values are used, the damping at each energy will be interpolated linearly. This can be useful when poor k-point sampling leads to large oscillations at higher energy.}}
{{var-basic|DmRngeXd|Energy|Range}}
{{var-short|Determines the damping used across the requested spectral range.}}
{{var-usage|Typically this is kept constant. If different values are used, the damping at each energy will be interpolated linearly. This can be useful when poor k-point sampling leads to large oscillations at higher energy.}}
<span id=ETStpsXd></span>
<span id=ETStpsXd></span>
{{var3|ETStpsXd|None|Integer|Number of energy steps in computing X|Determines the number of steps in energy the response function/spectrum is computed for in the desired range defined by EnRngeXd. In the case of a full frequency GW the range is fixed by the occupied/empty states included in the calculation, the number of frequency requires a careful check}}
{{var-basic|ETStpsXd|None|Integer}}
{{var-short|Number of energy steps in computing X}}
{{var-usage|Determines the number of steps in energy the response function/spectrum is computed for in the desired range defined by EnRngeXd. In the case of a full frequency GW the range is fixed by the occupied/empty states included in the calculation, the number of frequency requires a careful check}}
<span id=LongDrXd></span>
<span id=LongDrXd></span>
{{var3|LongDrXd|Length|Vector|Electric field direction|Pay attention how the system is oriented when treating non 3D systems and choose a direction in the plane/axis where your system lies}}
{{var-basic|LongDrXd|Length|Vector}}
{{var-short|Electric field direction}}
{{var-usage|Pay attention how the system is oriented when treating non 3D systems and choose a direction in the plane/axis where your system lies}}
<span id=XfnQPdb></span>
<span id=XfnQPdb></span>
{{var3|XfnQPdb||||}}
{{var-basic|XfnQPdb||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
::Format: "<what> < <path>/ndb.QP" with <what> = E,W,Z for QP energy correction, QP width and renormalization factor.
<span id=XfnQP_N></span>
<span id=XfnQP_N></span>
{{var3|XfnQP_N||||}}
{{var-basic|XfnQP_N||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_E></span>
<span id=XfnQP_E></span>
{{var3|XfnQP_E||||}}
{{var-basic|XfnQP_E||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_Z></span>
<span id=XfnQP_Z></span>
{{var3|XfnQP_Z||||}}
{{var-basic|XfnQP_Z||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_Wv_E></span>
<span id=XfnQP_Wv_E></span>
{{var3|XfnQP_Wv_E||||}}
{{var-basic|XfnQP_Wv_E||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_Wv></span>
<span id=XfnQP_Wv></span>
{{var3|XfnQP_Wv||||}}
{{var-basic|XfnQP_Wv||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_Wv_dos></span>
<span id=XfnQP_Wv_dos></span>
{{var3|XfnQP_Wv_dos||||}}
{{var-basic|XfnQP_Wv_dos||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_Wc_E></span>
<span id=XfnQP_Wc_E></span>
{{var3|XfnQP_Wc_E||||}}
{{var-basic|XfnQP_Wc_E||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_Wc></span>
<span id=XfnQP_Wc></span>
{{var3|XfnQP_Wc||||}}
{{var-basic|XfnQP_Wc||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=XfnQP_Wc_dos></span>
<span id=XfnQP_Wc_dos></span>
{{var3|XfnQP_Wc_dos||||}}
{{var-basic|XfnQP_Wc_dos||}}{{var-verbosity|qp}}
{{var-short|}}
{{var-usage|}}
<span id=NonPDirs></span>
<span id=NonPDirs></span>
{{var3|NonPDirs||||}}
{{var-basic|NonPDirs||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=ChiLinAlgMod></span>
<span id=ChiLinAlgMod></span>
{{var3|ChiLinAlgMod||||}}
{{var-basic|ChiLinAlgMod||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=GrFnTpXd></span>
<span id=GrFnTpXd></span>
{{var3|GrFnTpXd||||}}
{{var-basic|GrFnTpXd||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DmERefXd></span>
<span id=DmERefXd></span>
{{var3|DmERefXd||||}}
{{var-basic|DmERefXd||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=CGrdSpXd></span>
<span id=CGrdSpXd></span>
{{var3|CGrdSpXd||||}}
{{var-basic|CGrdSpXd||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=EMStpsXd></span>
<span id=EMStpsXd></span>
{{var3|EMStpsXd||||}}
{{var-basic|EMStpsXd||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DrudeWXd></span>
<span id=DrudeWXd></span>
{{var3|DrudeWXd|Energy|Complex|Drude plasmon energy and inverse lifetime.|}}
{{var-basic|DrudeWXd|Energy|Complex}}{{var-verbosity|resp}}
{{var-short|Drude plasmon energy and inverse lifetime.}}
{{var-usage|}}
<span id=EhEngyXd></span>
<span id=EhEngyXd></span>
{{var3|EhEngyXd||||}}
{{var-basic|EhEngyXd||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DrClassic></span>
<span id=DrClassic></span>
{{var3|DrClassic||||}}
{{var-basic|DrClassic||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DipApproach></span>
<span id=DipApproach></span>
{{var3|DipApproach||||}}
{{var-basic|DipApproach||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DipPDirect></span>
<span id=DipPDirect></span>
{{var3|DipPDirect||||}}
{{var-basic|DipPDirect||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=ShiftedPaths></span>
<span id=ShiftedPaths></span>
{{var3|ShiftedPaths||||}}
{{var-basic|ShiftedPaths||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=Qdirection></span>
<span id=Qdirection></span>
{{var3|Qdirection||||}}
{{var-basic|Qdirection||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=QShiftOrder></span>
<span id=QShiftOrder></span>
{{var3|QShiftOrder||||}}
{{var-basic|QShiftOrder||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DbGdQsize></span>
<span id=DbGdQsize></span>
{{var3|DbGdQsize||||}}
{{var-basic|DbGdQsize||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=PAR_def_mode></span>
<span id=PAR_def_mode></span>
{{var3|PAR_def_mode||||}}
{{var-basic|PAR_def_mode||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=X_q_0_CPU></span>
<span id=X_q_0_CPU></span>
{{var3|X_q_0_CPU||||}}
{{var-basic|X_q_0_CPU||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=X_q_0_ROLEs></span>
<span id=X_q_0_ROLEs></span>
{{var3|X_q_0_ROLEs||||}}
{{var-basic|X_q_0_ROLEs||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=X_q_0_nCPU_LinAlg_INV></span>
<span id=X_q_0_nCPU_LinAlg_INV></span>
{{var3|X_q_0_nCPU_LinAlg_INV||||}}
{{var-basic|X_q_0_nCPU_LinAlg_INV||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=X_finite_q_CPU></span>
<span id=X_finite_q_CPU></span>
{{var3|X_finite_q_CPU||||}}
{{var-basic|X_finite_q_CPU||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=X_finite_q_ROLEs></span>
<span id=X_finite_q_ROLEs></span>
{{var3|X_finite_q_ROLEs||||}}
{{var-basic|X_finite_q_ROLEs||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=X_finite_q_nCPU_LinAlg_INV></span>
<span id=X_finite_q_nCPU_LinAlg_INV></span>
{{var3|X_finite_q_nCPU_LinAlg_INV||||}}
{{var-basic|X_finite_q_nCPU_LinAlg_INV||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
===Optics/BSE in eh-space===
===Optics/BSE in eh-space===
<span id=bse></span>
<span id=bse></span>
{{var3|bse||String|Runlevel name|}}
{{var-basic|bse||String}}
{{var-short|Runlevel name}}
{{var-usage|}}
<span id=K_Threads></span>
<span id=K_Threads></span>
{{var3|K_Threads||Integer||}}
{{var-basic|K_Threads||Integer}}
{{var-short|}}
{{var-usage|}}
<span id=BSEmod></span>
<span id=BSEmod></span>
{{var3|BSEmod||||}}
{{var-basic|BSEmod||}}
{{var-short|}}
{{var-usage|}}
<span id=BSKmod></span>
<span id=BSKmod></span>
{{var3|BSKmod||||}}
{{var-basic|BSKmod||}}
{{var-short|}}
{{var-usage|}}
<span id=BEnRange></span>
<span id=BEnRange></span>
{{var3|BEnRange||||}}
{{var-basic|BEnRange||}}
{{var-short|}}
{{var-usage|}}
<span id=BDmRange></span>
<span id=BDmRange></span>
{{var3|BDmRange||||}}
{{var-basic|BDmRange||}}
{{var-short|}}
{{var-usage|}}
<span id=BEnSteps></span>
<span id=BEnSteps></span>
{{var3|BEnSteps||||}}
{{var-basic|BEnSteps||}}
{{var-short|}}
{{var-usage|}}
<span id=BLongDir></span>
<span id=BLongDir></span>
{{var3|BLongDir||||}}
{{var-basic|BLongDir||}}
{{var-short|}}
{{var-usage|}}
<span id=BSEBands></span>
<span id=BSEBands></span>
{{var3|BSEBands|None|Range|Bands range: Specifies the band states from which the electron-hole basis of the BSE kernel is constructed|Choose few bands close to the Fermi level.}}
{{var-basic|BSEBands|None|Range}}
{{var-short|Bands range: Specifies the band states from which the electron-hole basis of the BSE kernel is constructed}}
{{var-usage|Choose few bands close to the Fermi level.}}
<span id=KfnQPdb></span>
<span id=KfnQPdb></span>
{{var3|KfnQPdb|None|String|Database for QP corrections.|From a previous GW calculation. An interpolation of the missing QP-values on the basis of the QP-database is available}}
{{var-redirect|KfnQPdb|<code>[[Variables#XfnQPdb|XfnQPdb]]</code>}}
<span id=KfnQP_N></span>
<span id=KfnQP_N></span>
{{var3|KfnQP_N|None|Integer|Interpolation neighbours?|}}
{{var-redirect|KfnQP_N|<code>[[Variables#XfnQP_N|XfnQP_N]]</code>}}
<span id=KfnQP_E></span>
<span id=KfnQP_E></span>
{{var3|KfnQP_E|eV/None/None|Scissors|QP corrections using a scissor operator and stretching coefficients for the conduction/valence bandwidths.|From a previous GW calculation or experiment.}}
{{var-redirect|KfnQP_E|<code>[[Variables#XfnQP_E|XfnQP_E]]</code>}}
<span id=KfnQP_Z></span>
<span id=KfnQP_Z></span>
{{var3|KfnQP_Z||||}}
{{var-redirect|KfnQP_Z|<code>[[Variables#XfnQP_Z|XfnQP_Z]]</code>}}
<span id=KfnQP_Wv_E></span>
<span id=KfnQP_Wv_E></span>
{{var3|KfnQP_Wv_E||||}}
{{var-redirect|KfnQP_Wv_E|<code>[[Variables#XfnQP_Wv_E|XfnQP_Wv_E]]</code>}}
<span id=KfnQP_Wv></span>
<span id=KfnQP_Wv></span>
{{var3|KfnQP_Wv||||}}
{{var-redirect|KfnQP_Wv|<code>[[Variables#XfnQP_Wv|XfnQP_Wv]]</code>}}
<span id=KfnQP_Wv_dos></span>
<span id=KfnQP_Wv_dos></span>
{{var3|KfnQP_Wv_dos||||}}
{{var-redirect|KfnQP_Wv_dos|<code>[[Variables#XfnQP_Wv_dos|XfnQP_Wv_dos]]</code>}}
<span id=KfnQP_Wc_E></span>
<span id=KfnQP_Wc_E></span>
{{var3|KfnQP_Wc_E||||}}
{{var-redirect|KfnQP_Wc_E|<code>[[Variables#XfnQP_Wc_E|XfnQP_Wc_E]]</code>}}
<span id=KfnQP_Wc></span>
<span id=KfnQP_Wc></span>
{{var3|KfnQP_Wc||||}}
{{var-redirect|KfnQP_Wc|<code>[[Variables#XfnQP_Wc|XfnQP_Wc]]</code>}}
<span id=KfnQP_Wc_dos></span>
<span id=KfnQP_Wc_dos></span>
{{var3|KfnQP_Wc_dos||||}}
{{var-redirect|KfnQP_Wc_dos|<code>[[Variables#XfnQP_Wc_dos|XfnQP_Wc_dos]]</code>}}
<span id=BoseCut></span>
<span id=BoseCut></span>
{{var3|BoseCut||||}}
{{var-basic|BoseCut||}}{{var-verbosity|gen}}
{{var-short|}}
{{var-usage|}}
<span id=DbGdQsize></span>
<span id=DbGdQsize></span>
{{var3|DbGdQsize||||}}
{{var-basic|DbGdQsize||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DipApproach></span>
<span id=DipApproach></span>
{{var3|DipApproach||||}}
{{var-basic|DipApproach||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DipPDirect></span>
<span id=DipPDirect></span>
{{var3|DipPDirect||||}}
{{var-basic|DipPDirect||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=ShiftedPaths></span>
<span id=ShiftedPaths></span>
{{var3|ShiftedPaths||||}}
{{var-basic|ShiftedPaths||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=Gauge></span>
<span id=Gauge></span>
{{var3|Gauge||||}}
{{var-basic|Gauge||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=NoCondSumRule></span>
<span id=NoCondSumRule></span>
{{var3|NoCondSumRule||||}}
{{var-basic|NoCondSumRule||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=MetDamp></span>
<span id=MetDamp></span>
{{var3|MetDamp||||}}
{{var-basic|MetDamp||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=Reflectivity></span>
<span id=Reflectivity></span>
{{var3|Reflectivity||||}}
{{var-basic|Reflectivity||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=DrudeWBS></span>
<span id=DrudeWBS></span>
{{var3|DrudeWBS||||}}
{{var-basic|DrudeWBS||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=BSEEhEny></span>
<span id=BSEEhEny></span>
{{var3|BSEEhEny||||}}
{{var-basic|BSEEhEny||}}{{var-verbosity|resp}}
{{var-short|}}
{{var-usage|}}
<span id=BS_CPU></span>
<span id=BS_CPU></span>
{{var3|BS_CPU||||}}
{{var-basic|BS_CPU||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=BS_ROLEs></span>
<span id=BS_ROLEs></span>
{{var3|BS_ROLEs||||}}
{{var-basic|BS_ROLEs||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=BS_nCPU_LinAlg_INV></span>
<span id=BS_nCPU_LinAlg_INV></span>
{{var3|BS_nCPU_LinAlg_INV||||}}
{{var-basic|BS_nCPU_LinAlg_INV||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
<span id=BS_nCPU_LinAlg_DIAGO></span>
<span id=BS_nCPU_LinAlg_DIAGO></span>
{{var3|BS_nCPU_LinAlg_DIAGO||||}}
{{var-basic|BS_nCPU_LinAlg_DIAGO||}}{{var-verbosity|par}}
{{var-short|}}
{{var-usage|}}
===Bethe Salpeter/TDDFT Kernel===
===Bethe Salpeter/TDDFT Kernel===
<span id=LRC_alpha></span>
<span id=LRC_alpha></span>
{{var3|LRC_alpha||||}}
{{var-basic|LRC_alpha||}}
{{var-short|}}
{{var-usage|}}
<span id=bsk></span>
<span id=bsk></span>
{{var3|bsk||||}}
{{var-basic|bsk||}}
{{var-short|}}
{{var-usage|}}
<span id=BSENGexx></span>
<span id=BSENGexx></span>
{{var3|BSENGexx|RL/Energy|Integer/Real|G-components to be summed in the Exchange part of the BSE kernel, which takes into account the Local-field effects|Small values increase speed. Convergence tests are required.}}
{{var-basic|BSENGexx|RL/Energy|Integer/Real}}
{{var-short|G-components to be summed in the Exchange part of the BSE kernel, which takes into account the Local-field effects}}
{{var-usage|Small values increase speed. Convergence tests are required.}}
<span id=BSENGBlk></span>
<span id=BSENGBlk></span>
{{var3|BSENGBlk|RL/Energy|Integer/Real|Number of RL-components of the Screened Coulomb Potential matrix W(G,G'), to be included in the sum of the e-h attractive Kernel|Try using the diagonal terms only first (BSresKmod BScplKmod variables); use a smaller number than the dimension of the Screened interaction matrix}}
{{var-basic|BSENGBlk|RL/Energy|Integer/Real}}
{{var-short|Number of RL-components of the Screened Coulomb Potential matrix W(G,G'), to be included in the sum of the e-h attractive Kernel}}
{{var-usage|Try using the diagonal terms only first (BSresKmod BScplKmod variables); use a smaller number than the dimension of the Screened interaction matrix}}
<span id=WehCpl></span>
<span id=WehCpl></span>
{{var3|WehCpl||||}}
{{var-basic|WehCpl||}}
{{var-short|}}
{{var-usage|}}
<span id=BSSmod></span>
<span id=BSSmod></span>
{{var3|BSSmod||||}}
{{var-basic|BSSmod||}}
{{var-short|}}
{{var-usage|}}
<span id=BSHayTrs></span>
<span id=BSHayTrs></span>
{{var3|BSHayTrs|None|Real|Haydock treshold. Strict(>0)/Average(<0)|}}
{{var-basic|BSHayTrs|None|Real}}
{{var-short|Haydock treshold. Strict(>0)/Average(<0)}}
{{var-usage|}}
<span id=BSSInvMode></span>
<span id=BSSInvMode></span>
{{var3|BSSInvMode||||}}
{{var-basic|BSSInvMode||}}
{{var-short|}}
{{var-usage|}}
<span id=BSEPSInvTrs></span>
<span id=BSEPSInvTrs></span>
{{var3|BSEPSInvTrs||||}}
{{var-basic|BSEPSInvTrs||}}
{{var-short|}}
{{var-usage|}}
<span id=BSSInvPFratio></span>
<span id=BSSInvPFratio></span>
{{var3|BSSInvPFratio||||}}
{{var-basic|BSSInvPFratio||}}
{{var-short|}}
{{var-usage|}}

Revision as of 14:32, 31 October 2019

This page gives a brief explanation of the format and meaning for input variables used by Yambo. Check the Units and Format pages for accepted values of each.

DO NOT EDIT THIS PAGE DIRECTLY!!! CHANGES WILL BE LOST!!!



All Variables (alphabetical order)

BDmRange BEnRange BEnSteps BLongDir BndsRnXd BndsRnXp BoseCut BoseTemp
BS_CPU BS_nCPU_LinAlg_DIAGO BS_nCPU_LinAlg_INV BS_ROLEs bse BSEBands BSEEhEny BSEmod
BSENGBlk BSENGexx BSEPSInvTrs BSHayTrs bsk BSKmod BSSInvMode BSSInvPFratio
BSSmod CGrdSpXd chi ChiLinAlgMod Chimod cohsex CUTBox CUTCol_test
CUTCylLen CUTGeo CUTRadius CUTwsGvec DbGdQsize DbGdQsize DBsFRAGpm DBsIOoff
DIP_Threads DipApproach DipApproach DipPDirect DipPDirect DmERefXd DmRngeXd DmRngeXp
DrClassic DrudeWBS DrudeWXd dScStep DysSolver EhEngyXd ElecTemp Em1Anys
em1d em1s EMStpsXd EnRngeXd EnRngeXp ETStpsXd ETStpsXp ExtendOut
EXXRLvcs FFTGvecs Gauge GbndRnge GDamping GDmRnge GEnRnge GEnSteps
GfnQP_E GfnQP_N GfnQP_Wc GfnQP_Wc_dos GfnQP_Wc_E GfnQP_Wv GfnQP_Wv_dos GfnQP_Wv_E
GfnQP_Z GfnQPdb GrFnTpXd GTermEn GTermKind gw0 HF_and_locXC IDEm1Ref
IkSigLim IkXLim K_Threads KfnQP_E KfnQP_N KfnQP_Wc KfnQP_Wc_dos KfnQP_Wc_E
KfnQP_Wv KfnQP_Wv_dos KfnQP_Wv_E KfnQP_Z KfnQPdb LifeTrCG LongDrXd LongDrXp
LRC_alpha MaxGvecs MEM_tresh MetDamp Nelectro NewtDchk NGBlkXd NLogCPUs
NoCondSumRule NonPDirs OccTresh OnMassShell optics PAR_def_mode PAR_def_mode PPAPntXp
Qdirection QPerange QPerange QpgFull QPkrange QPkrange QpntsRXd QptCoord
QShiftOrder RandGvec RandQpts Reflectivity rim_cut SE_CPU SE_ROLEs SE_Threads
setup ShiftedPaths ShiftedPaths StdoHash UseNLCC VXCRLvcs WehCpl WFbuffIO
X_finite_q_CPU X_finite_q_nCPU_LinAlg_INV X_finite_q_ROLEs X_q_0_CPU X_q_0_nCPU_LinAlg_INV X_q_0_ROLEs X_Threads XfnQP_E
XfnQP_N XfnQP_Wc XfnQP_Wc_dos XfnQP_Wc_E XfnQP_Wv XfnQP_Wv_dos XfnQP_Wv_E XfnQP_Z
XfnQPdb

Global options

Nelectro (Units: , Format: )Default: From ns.db1 Verbosity: -V gen
Meaning: Electrons number
Usage:

ElecTemp (Units: , Format: ) Verbosity: -V gen
Meaning: Electronic Temperature
Usage:

BoseTemp (Units: , Format: ) Verbosity: -V gen
Meaning: Bosonic Temperature
Usage:

OccTresh (Units: , Format: ) Verbosity: -V gen
Meaning: Occupation treshold (metallic bands)
Usage:

StdoHash (Units: , Format: Integer)Default: 40 Verbosity: -V io
Meaning: Number of hashes in live-timing output
Usage:

DBsIOoff (Units: , Format: String) Verbosity: -V io
Meaning: List of databases not written to disk
Usage: Space-separated list of DB with NO I/O. DB is (DIP,X,HF,COLLs,J,GF,CARRIERs,OBS,W,SC,BS,ALL)

DBsFRAGpm (Units: , Format: String) Verbosity: -V io
Meaning: List of databases to be fragmented
Usage: Space-separated list of +DB to FRAG and -DB to NOT FRAG, where DB is (DIP,X,W,HF,COLLS,K,BS,QINDX,RT,ELP

WFbuffIO (Units: , Format: ) Verbosity: -V io
Meaning:
Usage:

MEM_tresh (Units: , Format: ) Verbosity: -V gen
Meaning: Threshold on traced memory allocations/deallocations
Usage:

NLogCPUs (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

PAR_def_mode (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

FFTGvecs (Units: RL/Energy, Format: Integer/Real) Verbosity: -V RL
Meaning: Number of G-vectors or energy cut off for expanding the wavefunctions/FFT transforms
Usage: It needs careful convergence. Determines the memory needed.

Initialization

setup (Units: , Format: String)
Meaning: Runlevel name
Usage:

MaxGvecs (Units: RL/Energy, Format: Integer/Real) Verbosity: -V RL
Meaning: Maximum number of G-vectors that can be used by code
Usage:

IkSigLim (Units: Range, Format: Integer ) Verbosity: -V kpt
Meaning: QP K-points indices range
Usage:

IkXLim (Units: , Format: ) Verbosity: -V kpt
Meaning:
Usage:

QptCoord (Units: , Format: ) Verbosity: -V kpt
Meaning:
Usage:

Random integration method and cutoff

rim_cut (Units: , Format: String)
Meaning: Runlevel name
Usage:

RandQpts (Units: RL, Format: Integer)
Meaning: Number of random q-points in the BZ
Usage: It needs convergence: values like 10^6 can be used to ensure convergence. See also: RandGvec

CUTGeo (Units: None, Format: String)
Meaning: Cutoff geometry
Usage: Allowed values are: "box/cylinder/sphere X/Y/Z/XY...", e.g. "box xy" or "cylinder y".

CUTBox (Units: Length, Format: Vector)
Meaning: Dimensions of box
Usage:

CUTRadius (Units: Length, Format: Real)
Meaning: Sphere/cylinder radius.
Usage:

CUTCylLen (Units: , Format: )
Meaning:
Usage:

CUTwsGvec (Units: , Format: )
Meaning:
Usage:

RandGvec (Units: , Format: ) Verbosity: -V RL
Meaning:
Usage:

QpgFull (Units: , Format: ) Verbosity: -V RL
Meaning:
Usage:

Em1Anys (Units: , Format: ) Verbosity: -V RL
Meaning:
Usage:

IDEm1Ref (Units: , Format: ) Verbosity: -V RL
Meaning:
Usage:

CUTCol_test (Units: , Format: ) Verbosity: -V RL
Meaning:
Usage:

Hartree-Fock Self-energy and Vxc

HF_and_locXC (Units: , Format: String)
Meaning: Runlevel name
Usage:

EXXRLvcs (Units: RL/Energy, Format: Integer/Real)
Meaning: Number of G-vectors used in the sum of the exchange self-energy Sx.
Usage: It needs careful convergence: not particularly time consuming, large values can be used to ensure convergence.

VXCRLvcs (Units: , Format: )
Meaning:
Usage:

QPkrange (Units: , Format: )
Meaning:
Usage:

UseNLCC (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

QPerange (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

SE_CPU (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

SE_ROLEs (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

SE_Threads (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

GW

cohsex (Units: , Format: String)
Meaning: Runlevel name
Usage:

gw0 (Units: , Format: String)
Meaning: Runlevel name
Usage:

QPkrange (Units: None, Format: Range)
Meaning: First and last Indexes of kpoints and bands the self energy correction is calculated
Usage: If interested in non consecutive kpoints or bands multiple rows can be also considered

GbndRnge (Units: None, Format: Range)
Meaning: Bands range: Specifies the number of bands entering in the sum over states in the correlation part of the self energy
Usage: It needs several empty states. Single quasiparticle states converges very slowly with respect GbndRnge, energy differences (e.g. gaps) behave better. See also GTermKind variable in order to speed up the convergences.

GDamping (Units: , Format: )
Meaning:
Usage:

dScStep (Units: , Format: )
Meaning:
Usage:

DysSolver (Units: , Format: )
Meaning:
Usage:

LifeTrCG (Units: , Format: )
Meaning:
Usage: Need -l option

GfnQPdb See XfnQPdb

GfnQP_N See XfnQP_N

GfnQP_E See XfnQP_E

GfnQP_Z See XfnQP_Z

GfnQP_Wv_E See XfnQP_Wv_E

GfnQP_Wv See XfnQP_Wv

GfnQP_Wv_dos See XfnQP_Wv_dos

GfnQP_Wc_E See XfnQP_Wc_E

GfnQP_Wc See XfnQP_Wc

GfnQP_Wc_dos See XfnQP_Wc_dos

GTermKind (Units: None, Format: String) Verbosity: -V qp
Meaning: Type of terminator to accelarate onvergence with respect empty states
Usage: Default is "none", possible options are "BG" for the Bruneval-Gonze terminator. See BG[1]

GTermEn (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

NewtDchk (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

ExtendOut (Units: None, Format: Flag) Verbosity: -V qp
Meaning: Extended output: Print more quantities in qp output files
Usage: Optional variable (-V qp). Uncomment to activate

OnMassShell (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

QPerange (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

GEnSteps (Units:  ?, Format: ) Verbosity: -V qp
Meaning:
Usage: -g s

GEnRnge (Units:  ?, Format: ) Verbosity: -V qp
Meaning:
Usage: -g s

GDmRnge (Units:  ?, Format: ) Verbosity: -V qp
Meaning:
Usage: -g s

Screening

em1d (Units: , Format: String)
Meaning: Runlevel name
Usage:

em1s (Units: , Format: String)
Meaning: Runlevel name
Usage:

NGBlkXd (Units: RL/Energy, Format: Integer/Real)
Meaning: Number of G-vectors or energy cut off in the screening.
Usage: Determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects, it should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.

PPAPntXp (Units: Energy, Format: Real)
Meaning: Plasmon pole Imaginary Energy (Default 1 Ha)
Usage: The self energy in the imaginary axis should be a smooth function so it should not have a strong dependence on this pole energy. Set it at an higher value of the plasmon energy (see EELS spectrum)

BndsRnXp See BndsRnXd

EnRngeXp See EnRngeXd

DmRngeXp See DmRngeXd

ETStpsXp See ETStpsXd

LongDrXp See LongDrXd

Optics/chi in G-space

optics (Units: , Format: String)
Meaning: Runlevel name
Usage:

chi (Units: , Format: String)
Meaning: Runlevel name
Usage:

Chimod (Units: None, Format: String)
Meaning: Type of kernel in TDDFT Dyson equation
Usage: Do not set this manually - set using the appropriate -k command line option. Allowed values: IP/Hartree/ALDA/LRC/BSfxc. IP indicates no kernel (independent particle level/RPA without local fields)

X_Threads (Units: , Format: )
Meaning:
Usage:

DIP_Threads (Units: , Format: )
Meaning:
Usage:

QpntsRXd (Units: None, Format: Range)
Meaning: Range of indexes of q-points/transferred momenta to be computed.
Usage: Set to 1 1 to select just the long wavelength term.

BndsRnXd (Units: None, Format: Range)
Meaning: Bands range: Specifies the number of bands entering in the sum over states in the RPA response function
Usage: It needs several empty states. See also GTermKind variable in order to speed up the convergences. See also: GTermKind

EnRngeXd (Units: Energy, Format: Range)
Meaning: Energy range the spectrum is calculated across.
Usage: Extremae of the energy range across which optical spectra will be computed.

DmRngeXd (Units: Energy, Format: Range)
Meaning: Determines the damping used across the requested spectral range.
Usage: Typically this is kept constant. If different values are used, the damping at each energy will be interpolated linearly. This can be useful when poor k-point sampling leads to large oscillations at higher energy.

ETStpsXd (Units: None, Format: Integer)
Meaning: Number of energy steps in computing X
Usage: Determines the number of steps in energy the response function/spectrum is computed for in the desired range defined by EnRngeXd. In the case of a full frequency GW the range is fixed by the occupied/empty states included in the calculation, the number of frequency requires a careful check

LongDrXd (Units: Length, Format: Vector)
Meaning: Electric field direction
Usage: Pay attention how the system is oriented when treating non 3D systems and choose a direction in the plane/axis where your system lies

XfnQPdb (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:
Format: "<what> < <path>/ndb.QP" with <what> = E,W,Z for QP energy correction, QP width and renormalization factor.

XfnQP_N (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_E (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_Z (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_Wv_E (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_Wv (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_Wv_dos (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_Wc_E (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_Wc (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

XfnQP_Wc_dos (Units: , Format: ) Verbosity: -V qp
Meaning:
Usage:

NonPDirs (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

ChiLinAlgMod (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

GrFnTpXd (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DmERefXd (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

CGrdSpXd (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

EMStpsXd (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DrudeWXd (Units: Energy, Format: Complex) Verbosity: -V resp
Meaning: Drude plasmon energy and inverse lifetime.
Usage:

EhEngyXd (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DrClassic (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DipApproach (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DipPDirect (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

ShiftedPaths (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

Qdirection (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

QShiftOrder (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DbGdQsize (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

PAR_def_mode (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

X_q_0_CPU (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

X_q_0_ROLEs (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

X_q_0_nCPU_LinAlg_INV (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

X_finite_q_CPU (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

X_finite_q_ROLEs (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

X_finite_q_nCPU_LinAlg_INV (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

Optics/BSE in eh-space

bse (Units: , Format: String)
Meaning: Runlevel name
Usage:

K_Threads (Units: , Format: Integer)
Meaning:
Usage:

BSEmod (Units: , Format: )
Meaning:
Usage:

BSKmod (Units: , Format: )
Meaning:
Usage:

BEnRange (Units: , Format: )
Meaning:
Usage:

BDmRange (Units: , Format: )
Meaning:
Usage:

BEnSteps (Units: , Format: )
Meaning:
Usage:

BLongDir (Units: , Format: )
Meaning:
Usage:

BSEBands (Units: None, Format: Range)
Meaning: Bands range: Specifies the band states from which the electron-hole basis of the BSE kernel is constructed
Usage: Choose few bands close to the Fermi level.

KfnQPdb See XfnQPdb

KfnQP_N See XfnQP_N

KfnQP_E See XfnQP_E

KfnQP_Z See XfnQP_Z

KfnQP_Wv_E See XfnQP_Wv_E

KfnQP_Wv See XfnQP_Wv

KfnQP_Wv_dos See XfnQP_Wv_dos

KfnQP_Wc_E See XfnQP_Wc_E

KfnQP_Wc See XfnQP_Wc

KfnQP_Wc_dos See XfnQP_Wc_dos

BoseCut (Units: , Format: ) Verbosity: -V gen
Meaning:
Usage:

DbGdQsize (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DipApproach (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DipPDirect (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

ShiftedPaths (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

Gauge (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

NoCondSumRule (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

MetDamp (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

Reflectivity (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

DrudeWBS (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

BSEEhEny (Units: , Format: ) Verbosity: -V resp
Meaning:
Usage:

BS_CPU (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

BS_ROLEs (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

BS_nCPU_LinAlg_INV (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

BS_nCPU_LinAlg_DIAGO (Units: , Format: ) Verbosity: -V par
Meaning:
Usage:

Bethe Salpeter/TDDFT Kernel

LRC_alpha (Units: , Format: )
Meaning:
Usage:

bsk (Units: , Format: )
Meaning:
Usage:

BSENGexx (Units: RL/Energy, Format: Integer/Real)
Meaning: G-components to be summed in the Exchange part of the BSE kernel, which takes into account the Local-field effects
Usage: Small values increase speed. Convergence tests are required.

BSENGBlk (Units: RL/Energy, Format: Integer/Real)
Meaning: Number of RL-components of the Screened Coulomb Potential matrix W(G,G'), to be included in the sum of the e-h attractive Kernel
Usage: Try using the diagonal terms only first (BSresKmod BScplKmod variables); use a smaller number than the dimension of the Screened interaction matrix

WehCpl (Units: , Format: )
Meaning:
Usage:

BSSmod (Units: , Format: )
Meaning:
Usage:

BSHayTrs (Units: None, Format: Real)
Meaning: Haydock treshold. Strict(>0)/Average(<0)
Usage:

BSSInvMode (Units: , Format: )
Meaning:
Usage:

BSEPSInvTrs (Units: , Format: )
Meaning:
Usage:

BSSInvPFratio (Units: , Format: )
Meaning:
Usage:
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