Questions about "electron_phonon"
Posted: Wed May 13, 2020 2:33 pm
Dear Developers,
When I followed the example of Silicon about the electron-phonon coupling using Yambo, I found the following tags which are missing in the manual of quantum espresso,
electron_phonon='dvscf'
electron_phonon='yambo'
Is there any special version of QE for Yambo? How can I run the PH calculation using in file as follows,
&inputph
tr2_ph=1.0d-6,
prefix='cuo8',
amass(1)=63.546,
amass(2)=63.546,
amass(3)=15.9994,
fildyn='cuo.dyn',
fildvscf='dvscf',
verbosity='high',
electron_phonon='yambo',
trans=.false.,
ldisp=.true.,
qplot=.true.
/
9
0.0 0.0 0.0 1
-0.0984269 0.2911256 0.1333000 1
-0.0521379 -0.4663521 -0.0060134 1
-0.2514277 0.3074942 0.2635288 1
-0.0082161 0.1198959 0.1045330 1
-0.1152867 0.4466286 -0.1122198 1
-0.1557386 -0.1220540 -0.0234657 1
-0.0662123 -0.4512908 -0.0457591 1
0.3664279 -0.2705629 -0.0188302 1
Thank you very much!
Best regards,
Hao Zhang
When I followed the example of Silicon about the electron-phonon coupling using Yambo, I found the following tags which are missing in the manual of quantum espresso,
electron_phonon='dvscf'
electron_phonon='yambo'
Is there any special version of QE for Yambo? How can I run the PH calculation using in file as follows,
&inputph
tr2_ph=1.0d-6,
prefix='cuo8',
amass(1)=63.546,
amass(2)=63.546,
amass(3)=15.9994,
fildyn='cuo.dyn',
fildvscf='dvscf',
verbosity='high',
electron_phonon='yambo',
trans=.false.,
ldisp=.true.,
qplot=.true.
/
9
0.0 0.0 0.0 1
-0.0984269 0.2911256 0.1333000 1
-0.0521379 -0.4663521 -0.0060134 1
-0.2514277 0.3074942 0.2635288 1
-0.0082161 0.1198959 0.1045330 1
-0.1152867 0.4466286 -0.1122198 1
-0.1557386 -0.1220540 -0.0234657 1
-0.0662123 -0.4512908 -0.0457591 1
0.3664279 -0.2705629 -0.0188302 1
Thank you very much!
Best regards,
Hao Zhang