I have finished my BSE calculation ( yambo -b -o b -y h) normally. After that, I want to have an exciton wave plot by ypp -e a or ypp -e w and it show the following information without any output files. what's the problem and how to resolve it???? Thank u!
<---> [01] Y(ambo) P(ost)/(re) P(rocessor)
<---> [02] Core DB
<---> :: Electrons : 24.00000
<---> :: Temperature [ev]: 0.000000
<---> :: Lattice factors [a.u.]: 8.41682 9.47417 28.34589
<---> :: K points : 34
<---> :: Bands : 18
<---> :: Symmetries : 4
<---> :: RL vectors : 49035
<---> [03] K-point grid
<---> :: Q-points (IBZ): 34
<---> :: X K-points (IBZ): 34
<---> [04] CORE Variables Setup
<---> [04.01] Unit cells
<---> [04.02] Symmetries
<---> [04.03] RL shells
<---> [04.04] K-grid lattice
<---> [04.05] Energies [ev] & Occupations
<---> [05] Game Over
the ypp.in is as followed:
wavefunction # [R] Wavefunction
excitons # [R] Excitons
Format= "c" # Output format [(c)ube/(g)nuplot/(x)crysden]
Direction= "123" # [rlu] [1/2/3] for 1d or [12/13/23] for 2d [123] for 3D
FFTGvecs= 10000 RL # [FFT] Plane-waves
States= "1 - 1" # Index of the BS state(s)
Degen_Step= 0.0100 eV # Maximum energy separation of two degenerate states
% Cells
2 | 2 | 1 | # Number of cell repetitions (even or 1)
%
% Hole
0.00 | 0.00 | 0.00 | # [cc] Hole position in unit cell
%
exciton wave plot without any output files
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
-
ljzhou86
- Posts: 85
- Joined: Fri May 03, 2013 10:20 am
exciton wave plot without any output files
Dr. Zhou Liu-Jiang
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
-
Daniele Varsano
- Posts: 4231
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: exciton wave plot without any output files
Dear Zhou,
from your output yambo did not calculate the exc wf.
Did you use the diagonalization solver to solve the BSE (yambo -y d)?. If you used the Haydock solver
the exc_wf cannot be calculated. Moreover you have to activate the flag WRbsWF in your input file (just uncomment it).
If you did all these and still does not work, please pos also the yambo input files and reports of the BSE.
Best,
Daniele
from your output yambo did not calculate the exc wf.
Did you use the diagonalization solver to solve the BSE (yambo -y d)?. If you used the Haydock solver
the exc_wf cannot be calculated. Moreover you have to activate the flag WRbsWF in your input file (just uncomment it).
If you did all these and still does not work, please pos also the yambo input files and reports of the BSE.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
-
ljzhou86
- Posts: 85
- Joined: Fri May 03, 2013 10:20 am
Re: exciton wave plot without any output files
I do a BSE calculation by "yambo -o b -k sex -V resp -y d". After that, I use ypp by ypp -e w to plot exciton wave plot, however, I still can not obtain the ouput file, what the reason? The input file are posted here:
yambo.in:optics # [R OPT] Optics
bse # [R BSE] Bethe Salpeter Equation.
bsk # [R BSK] Bethe Salpeter Equation kernel
bss # [R BSS] Bethe Salpeter Equation solver
em1s # [R Xs] Static Inverse Dielectric Matrix
ElecTemp= 0.272114 eV # Electronic Temperature
NonPDirs= "Z" # [X/BSS] Non periodic chartesian directions (X,Y,Z,XY...)
Chimod= "Hartree" # [X] IP/Hartree/ALDA/LRC/BSfxc
BSEmod= "causal" # [BSE] resonant/causal/coupling
BSKmod= "SEX" # [BSE] IP/Hartree/HF/ALDA/SEX
BSSmod= "d" # [BSS] (h)aydock/(d)iagonalization/(i)nversion/(t)ddft`
BSENGexx= 9871 RL # [BSK] Exchange components
#ALLGexx # [BSS] Force the use use all RL vectors for the exchange part
KfnQPdb= "E < ./02_gw-p/ndb.QP"
BSENGBlk= 100 RL # [BSK] Screened interaction block size
WehDiag # [BSK] diagonal (G-space) the eh interaction
#WehCpl # [BSK] eh interaction included also in coupling
DrudeWBS= ( 0.00 , 0.00 ) eV # [BSE] Drude plasmon
% BEnRange
0.00000 | 10.00000 | eV # [BSS] Energy range
%
% BDmRange
0.10000 | 0.10000 | eV # [BSS] Damping range
%
BEnSteps= 300 # [BSS] Energy steps
% BLongDir
1.000000 | 0.000000 | 0.000000 | # [BSS] [cc] Electric Field
%
% BSEBands
2 | 7 | # [BSK] Bands range
%
% BSEEhEny
-1.000000 |-1.000000 | eV # [BSK] Electron-hole energy range
%
WRbsWF # [BSS] Write to disk excitonic the FWs
% QpntsRXs
1 | 91 | # [Xs] Transferred momenta
%
% BndsRnXs
1 | 18 | # [Xs] Polarization function bands
%
NGsBlkXs= 101 RL # [Xs] Response block size
CGrdSpXs= 100.0000 # [Xs] [o/o] Coarse grid controller
% EhEngyXs
-1.000000 |-1.000000 | eV # [Xs] Electron-hole energy range
%
% LongDrXs
1.000000 | 0.000000 | 0.000000 | # [Xs] [cc] Electric Field
%
ypp.in:
wavefunction # [R] Wavefunction
excitons # [R] Excitons
Format= "c" # Output format [(c)ube/(g)nuplot/(x)crysden]
Direction= "123" # [rlu] [1/2/3] for 1d or [12/13/23] for 2d [123] for 3D
FFTGvecs= 9871 RL # [FFT] Plane-waves
States= "1 - 1" # Index of the BS state(s)
Degen_Step= 0.0100 eV # Maximum energy separation of two degenerate states
% Cells
1 | 1 | 1 | # Number of cell repetitions in each direction (odd or 1)
%
% Hole
0.00 | 0.00 | 0.00 | # [cc] Hole position in unit cell
%
yambo.in:optics # [R OPT] Optics
bse # [R BSE] Bethe Salpeter Equation.
bsk # [R BSK] Bethe Salpeter Equation kernel
bss # [R BSS] Bethe Salpeter Equation solver
em1s # [R Xs] Static Inverse Dielectric Matrix
ElecTemp= 0.272114 eV # Electronic Temperature
NonPDirs= "Z" # [X/BSS] Non periodic chartesian directions (X,Y,Z,XY...)
Chimod= "Hartree" # [X] IP/Hartree/ALDA/LRC/BSfxc
BSEmod= "causal" # [BSE] resonant/causal/coupling
BSKmod= "SEX" # [BSE] IP/Hartree/HF/ALDA/SEX
BSSmod= "d" # [BSS] (h)aydock/(d)iagonalization/(i)nversion/(t)ddft`
BSENGexx= 9871 RL # [BSK] Exchange components
#ALLGexx # [BSS] Force the use use all RL vectors for the exchange part
KfnQPdb= "E < ./02_gw-p/ndb.QP"
BSENGBlk= 100 RL # [BSK] Screened interaction block size
WehDiag # [BSK] diagonal (G-space) the eh interaction
#WehCpl # [BSK] eh interaction included also in coupling
DrudeWBS= ( 0.00 , 0.00 ) eV # [BSE] Drude plasmon
% BEnRange
0.00000 | 10.00000 | eV # [BSS] Energy range
%
% BDmRange
0.10000 | 0.10000 | eV # [BSS] Damping range
%
BEnSteps= 300 # [BSS] Energy steps
% BLongDir
1.000000 | 0.000000 | 0.000000 | # [BSS] [cc] Electric Field
%
% BSEBands
2 | 7 | # [BSK] Bands range
%
% BSEEhEny
-1.000000 |-1.000000 | eV # [BSK] Electron-hole energy range
%
WRbsWF # [BSS] Write to disk excitonic the FWs
% QpntsRXs
1 | 91 | # [Xs] Transferred momenta
%
% BndsRnXs
1 | 18 | # [Xs] Polarization function bands
%
NGsBlkXs= 101 RL # [Xs] Response block size
CGrdSpXs= 100.0000 # [Xs] [o/o] Coarse grid controller
% EhEngyXs
-1.000000 |-1.000000 | eV # [Xs] Electron-hole energy range
%
% LongDrXs
1.000000 | 0.000000 | 0.000000 | # [Xs] [cc] Electric Field
%
ypp.in:
wavefunction # [R] Wavefunction
excitons # [R] Excitons
Format= "c" # Output format [(c)ube/(g)nuplot/(x)crysden]
Direction= "123" # [rlu] [1/2/3] for 1d or [12/13/23] for 2d [123] for 3D
FFTGvecs= 9871 RL # [FFT] Plane-waves
States= "1 - 1" # Index of the BS state(s)
Degen_Step= 0.0100 eV # Maximum energy separation of two degenerate states
% Cells
1 | 1 | 1 | # Number of cell repetitions in each direction (odd or 1)
%
% Hole
0.00 | 0.00 | 0.00 | # [cc] Hole position in unit cell
%
Dr. Zhou Liu-Jiang
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
-
Daniele Varsano
- Posts: 4231
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: exciton wave plot without any output files
Dear Zhou,
that's quite strange, I can't see anything wrong in your inputs.
What is the release you are using? Try first to update to the latest version.
Next, What is the output when typing
> yambo -D
Cheers,
Daniele
that's quite strange, I can't see anything wrong in your inputs.
What is the release you are using? Try first to update to the latest version.
Next, What is the output when typing
> yambo -D
Cheers,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
-
Daniele Varsano
- Posts: 4231
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: exciton wave plot without any output files
Dear Zhou,
that's quite strange, I can't see anything wrong in your inputs.
What is the release you are using? Try first to update to the latest version.
Next, What is the output when typing
> yambo -D
Cheers,
Daniele
that's quite strange, I can't see anything wrong in your inputs.
What is the release you are using? Try first to update to the latest version.
Next, What is the output when typing
> yambo -D
Cheers,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
-
ljzhou86
- Posts: 85
- Joined: Fri May 03, 2013 10:20 am
Re: exciton wave plot without any output files
the version of yambo is yambo.3.4 (rev.48)
the output of "yambo -D":
[RD./SAVE//ns.db1]------------------------------------------
Bands : 18
K-points : 91
G-vectors [RL space]: 57995
Components [wavefunctions]: 7293
Symmetries [spatial]: 4
Spinor components : 1
Spin polarizations : 1
Temperature [ev]: 0.272114
Electrons : 8.000000
WF G-vectors : 9881
Max atoms/species : 2
No. of atom species : 1
Magnetic symmetries : no
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ns.wf]-------------------------------------------
Bands in each block : 18
Blocks : 1
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ndb.kindx]---------------------------------------
Polarization last K : 91
QP states : 1 91
X grid is uniform :yes
BS scattering :yes
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ndb.dipoles]-------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ): 91 324 91 324
RL vectors (WF): 9871
Electronic Temperature [K]: 3158.
Bosonic Temperature [K]: 3158.
X band range : 1 18
X e/h energy range [ev]:-1.000000 -1.000000
Metallic bands : 8
Filled bands : 1
RL vectors in the sum : 9871
[r,Vnl] included :no
Transitions ordered :yes
Using shifted grids :no
Field momentum norm :0.1000E-4
Wavefunctions: Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ndb.em1s]----------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ): 91 324 91 324
RL vectors (WF): 9871
Coulomb cutoff potential :none
Electronic Temperature [K]: 3158.
Bosonic Temperature [K]: 3158.
Static diel. fun. energies: Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
wavefunctions: Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
Global Gauge :length
X matrix size : 101
X band range : 1 18
X e/h energy range [ev]:-1.000000 -1.000000
X Time ordering :c
X xc-Kernel :none
X Drude frequency : 0.00 0.00
X poles [o/o]: 100.0000
Rl vectors in the sum : 9871
[r,Vnl] included :no
Field direction :0.1000E-4 0.000 0.000
BZ energy Random IM :no
BZ energy RIM points :0
:: Current Q-pt index : 1
:: X energy range [ev]: 0.00 0.00
:: X damping range [ev]: 0.0010 0.0010
:: Number of frequencies : 1
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
the output of "yambo -D":
[RD./SAVE//ns.db1]------------------------------------------
Bands : 18
K-points : 91
G-vectors [RL space]: 57995
Components [wavefunctions]: 7293
Symmetries [spatial]: 4
Spinor components : 1
Spin polarizations : 1
Temperature [ev]: 0.272114
Electrons : 8.000000
WF G-vectors : 9881
Max atoms/species : 2
No. of atom species : 1
Magnetic symmetries : no
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ns.wf]-------------------------------------------
Bands in each block : 18
Blocks : 1
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ndb.kindx]---------------------------------------
Polarization last K : 91
QP states : 1 91
X grid is uniform :yes
BS scattering :yes
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ndb.dipoles]-------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ): 91 324 91 324
RL vectors (WF): 9871
Electronic Temperature [K]: 3158.
Bosonic Temperature [K]: 3158.
X band range : 1 18
X e/h energy range [ev]:-1.000000 -1.000000
Metallic bands : 8
Filled bands : 1
RL vectors in the sum : 9871
[r,Vnl] included :no
Transitions ordered :yes
Using shifted grids :no
Field momentum norm :0.1000E-4
Wavefunctions: Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
[RD./SAVE//ndb.em1s]----------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ): 91 324 91 324
RL vectors (WF): 9871
Coulomb cutoff potential :none
Electronic Temperature [K]: 3158.
Bosonic Temperature [K]: 3158.
Static diel. fun. energies: Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
wavefunctions: Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
Global Gauge :length
X matrix size : 101
X band range : 1 18
X e/h energy range [ev]:-1.000000 -1.000000
X Time ordering :c
X xc-Kernel :none
X Drude frequency : 0.00 0.00
X poles [o/o]: 100.0000
Rl vectors in the sum : 9871
[r,Vnl] included :no
Field direction :0.1000E-4 0.000 0.000
BZ energy Random IM :no
BZ energy RIM points :0
:: Current Q-pt index : 1
:: X energy range [ev]: 0.00 0.00
:: X damping range [ev]: 0.0010 0.0010
:: Number of frequencies : 1
- S/N 004528 --------------------------- v.03.04.00 r.2132 -
Dr. Zhou Liu-Jiang
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
-
Daniele Varsano
- Posts: 4231
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: exciton wave plot without any output files
Dear Zhou,
it looks you do not have in your SAVE directory the ndb.BS_diago_Q01 and ndb.BS_Q1 which are needed for the exciton plot, can you confirm that by typing ls ./SAVE and see if they are present?
If this is the case, something happened in the BS calculations, that has not finished properly.
Best,
Daniele
it looks you do not have in your SAVE directory the ndb.BS_diago_Q01 and ndb.BS_Q1 which are needed for the exciton plot, can you confirm that by typing ls ./SAVE and see if they are present?
If this is the case, something happened in the BS calculations, that has not finished properly.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
-
ljzhou86
- Posts: 85
- Joined: Fri May 03, 2013 10:20 am
Re: exciton wave plot without any output files
Yes, I have checked that ndb.BS_diago_Q01 and ndb.BS_Q1 are not present in ./SAVE. What's the reason? The log file of the BSE's calculation show it has done correctly. The log file is as followed:
<---> [01] Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Non periodic geometry
<---> [02.06] Energies [ev] & Occupations
<---> [WARNING]Metallic system
<---> [03] Transferred momenta grid
<---> X indexes | | [000%] --(E) --(X)
<---> X indexes |####################| [100%] --(E) --(X)
<---> SE indexes | | [000%] --(E) --(X)
<---> SE indexes |####################| [100%] --(E) --(X)
<---> [04] Static Dielectric Matrix
<---> [WARNING]BS bands redefined to be :2 - 8
<---> [WARNING]E/h energy range :-11.02120 - 3.083315 eV
<---> [05] External QP corrections (K)
<---> [QP@K] E<./02_gw-p/ndb.QP[ PPA XG:101 Xb:1 18 Scb:1 18]
<02s> [QP] Kpts covered exactly [o/o]: 100.0000
<02s> [05.01] Main loop
<02s> [WARNING] The system is a metal but Drude term not included.
<02s> [M 0.126 Gb] Alloc WF ( 0.107)
<02s> [WF-Oscillators/G space loader] Wfs (re)loading | | [000%] --(E) --(X)
<04s> [WF-Oscillators/G space loader] Wfs (re)loading |####################| [100%] 01s(E) 01s(X)
<04s> [X] Using Kohn-Sham energies for the dipoles
<04s> Dipole (T): | | [000%] --(E) --(X)
<04s> P01: Dipole (T): |####################| [100%] --(E) --(X)
<04s> [M 0.019 Gb] Free WF ( 0.107)
<04s> [WARNING] Missing non-local pseudopotential contribution
<04s> [06] Bethe-Salpeter Kernel
<04s> [BSE] Kernel dimension : 2555
<04s> [06.01] Screened interaction header I/O
<04s> Filling Estimation | | [000%] --(E) --(X)
<04s> P01: Filling Estimation |####################| [100%] --(E) --(X)
<04s> [P 01] Kernel filling [o/o] 6.250011
<04s> [P 02] Kernel filling [o/o] 6.250011
<04s> [P 03] Kernel filling [o/o] 6.250011
<04s> [P 04] Kernel filling [o/o] 6.250011
<04s> [P 05] Kernel filling [o/o] 6.250011
<04s> [P 06] Kernel filling [o/o] 6.250011
<04s> [P 07] Kernel filling [o/o] 6.250011
<04s> [P 08] Kernel filling [o/o] 6.250011
<04s> [P 09] Kernel filling [o/o] 6.250011
<04s> [P 10] Kernel filling [o/o] 6.250011
<04s> [P 11] Kernel filling [o/o] 6.249981
<04s> [P 12] Kernel filling [o/o] 6.249981
<04s> [P 13] Kernel filling [o/o] 6.249981
<04s> [P 14] Kernel filling [o/o] 6.249981
<04s> [P 15] Kernel filling [o/o] 6.249981
<04s> [P 16] Kernel filling [o/o] 6.249981
<04s> [M 0.312 Gb] Alloc WF ( 0.293)
<05s> [FFT-BSK] Mesh size: 15 15 120
<05s> [WF-BSK loader] Wfs (re)loading | | [000%] --(E) --(X)
<09s> [WF-BSK loader] Wfs (re)loading |####################| [100%] 04s(E) 04s(X)
<30s> [06.01] Main loop
<30s> BSK | | [000%] --(E) --(X)
<59s> P02: BSK |# | [005%] 28s(E) 09m-15s(X)
<59s> P01: BSK |# | [005%] 28s(E) 09m-15s(X)
<01m-06s> P04: BSK |# | [006%] 35s(E) 09m-27s(X)
<01m-28s> P03: BSK |## | [010%] 57s(E) 09m-30s(X)
<01m-28s> P01: BSK |## | [010%] 57s(E) 09m-30s(X)
<01m-28s> P02: BSK |## | [010%] 57s(E) 09m-30s(X)
<01m-16s> P05: BSK |# | [007%] 45s(E) 09m-41s(X)
<01m-41s> P04: BSK |## | [012%] 01m-10s(E) 09m-13s(X)
<01m-26s> P06: BSK |# | [009%] 55s(E) 09m-37s(X)
<01m-56s> P02: BSK |### | [015%] 01m-25s(E) 09m-29s(X)
<01m-36s> P07: BSK |## | [011%] 01m-05s(E) 09m-08s(X)
<02m-01s> P05: BSK |### | [015%] 01m-31s(E) 09m-30s(X)
<02m-16s> P04: BSK |### | [018%] 01m-45s(E) 09m-29s(X)
<02m-27s> P01: BSK |#### | [020%] 01m-56s(E) 09m-40s(X)
<02m-27s> P03: BSK |#### | [020%] 01m-56s(E) 09m-40s(X)
<02m-27s> P02: BSK |#### | [020%] 01m-56s(E) 09m-40s(X)
<01m-46s> P08: BSK |## | [013%] 01m-15s(E) 09m-26s(X)
<02m-22s> P06: BSK |### | [019%] 01m-51s(E) 09m-30s(X)
<01m-56s> P09: BSK |## | [014%] 01m-25s(E) 09m-31s(X)
<02m-51s> P04: BSK |#### | [023%] 02m-20s(E) 09m-51s(X)
<02m-47s> P05: BSK |#### | [023%] 02m-16s(E) 09m-46s(X)
<03m-00s> P01: BSK |##### | [025%] 02m-29s(E) 09m-58s(X)
<02m-06s> P10: BSK |### | [016%] 01m-35s(E) 09m-28s(X)
<02m-41s> P07: BSK |#### | [022%] 02m-10s(E) 09m-44s(X)
<02m-16s> P11: BSK |### | [018%] 01m-45s(E) 09m-29s(X)
<03m-34s> P02: BSK |###### | [030%] 03m-03s(E) 10m-11s(X)
<03m-34s> P01: BSK |###### | [030%] 03m-03s(E) 10m-11s(X)
<03m-34s> P03: BSK |###### | [030%] 03m-03s(E) 10m-11s(X)
<03m-27s> P04: BSK |##### | [029%] 02m-56s(E) 10m-05s(X)
<03m-17s> P06: BSK |##### | [027%] 02m-46s(E) 09m-55s(X)
<03m-02s> P08: BSK |##### | [025%] 02m-31s(E) 09m-58s(X)
<03m-32s> P05: BSK |##### | [029%] 03m-01s(E) 10m-10s(X)
<02m-25s> P12: BSK |### | [019%] 01m-55s(E) 09m-36s(X)
<04m-02s> P01: BSK |####### | [035%] 03m-31s(E) 10m-02s(X)
<04m-02s> P04: BSK |####### | [035%] 03m-31s(E) 10m-02s(X)
<02m-36s> P13: BSK |#### | [021%] 02m-05s(E) 09m-44s(X)
<03m-21s> P09: BSK |##### | [028%] 02m-50s(E) 09m-57s(X)
<03m-46s> P07: BSK |###### | [032%] 03m-15s(E) 10m-02s(X)
<02m-46s> P14: BSK |#### | [023%] 02m-15s(E) 09m-46s(X)
<04m-18s> P05: BSK |####### | [037%] 03m-47s(E) 10m-10s(X)
<04m-12s> P06: BSK |####### | [036%] 03m-41s(E) 10m-04s(X)
<03m-41s> P10: BSK |###### | [031%] 03m-10s(E) 10m-07s(X)
<04m-39s> P01: BSK |######## | [040%] 04m-08s(E) 10m-21s(X)
<04m-39s> P03: BSK |######## | [040%] 04m-08s(E) 10m-21s(X)
<04m-39s> P04: BSK |######## | [040%] 04m-08s(E) 10m-21s(X)
<02m-56s> P15: BSK |#### | [024%] 02m-25s(E) 09m-57s(X)
<04m-17s> P08: BSK |####### | [037%] 03m-46s(E) 10m-09s(X)
<03m-06s> P16: BSK |##### | [025%] 02m-35s(E) 09m-57s(X)
<04m-01s> P11: BSK |###### | [034%] 03m-30s(E) 10m-02s(X)
<05m-03s> P05: BSK |######## | [043%] 04m-32s(E) 10m-31s(X)
<04m-52s> P07: BSK |######## | [041%] 04m-21s(E) 10m-28s(X)
<05m-20s> P01: BSK |######### | [045%] 04m-49s(E) 10m-41s(X)
<05m-20s> P04: BSK |######### | [045%] 04m-49s(E) 10m-41s(X)
<05m-07s> P06: BSK |######## | [043%] 04m-36s(E) 10m-32s(X)
<04m-47s> P09: BSK |######## | [040%] 04m-16s(E) 10m-25s(X)
<04m-21s> P12: BSK |####### | [037%] 03m-50s(E) 10m-11s(X)
<05m-48s> P05: BSK |######### | [048%] 05m-17s(E) 11m-01s(X)
<05m-59s> P01: BSK |########## | [050%] 05m-28s(E) 10m-55s(X)
<04m-41s> P13: BSK |######## | [040%] 04m-10s(E) 10m-22s(X)
<05m-32s> P08: BSK |######### | [046%] 05m-01s(E) 10m-49s(X)
<05m-16s> P10: BSK |######## | [044%] 04m-45s(E) 10m-40s(X)
<06m-03s> P06: BSK |########## | [051%] 05m-32s(E) 10m-51s(X)
<05m-57s> P07: BSK |######### | [049%] 05m-26s(E) 10m-57s(X)
<05m-01s> P14: BSK |######## | [042%] 04m-30s(E) 10m-31s(X)
<06m-34s> P05: BSK |########## | [054%] 06m-03s(E) 11m-00s(X)
<06m-34s> P01: BSK |########### | [055%] 06m-03s(E) 11m-01s(X)
<06m-35s> P02: BSK |########### | [055%] 06m-04s(E) 11m-01s(X)
<05m-47s> P11: BSK |######### | [047%] 05m-16s(E) 11m-00s(X)
<06m-12s> P09: BSK |########## | [052%] 05m-41s(E) 10m-52s(X)
<05m-22s> P15: BSK |######### | [045%] 04m-51s(E) 10m-42s(X)
<06m-58s> P06: BSK |########### | [057%] 06m-28s(E) 11m-09s(X)
<06m-47s> P08: BSK |########### | [056%] 06m-16s(E) 11m-06s(X)
<07m-19s> P05: BSK |########### | [059%] 06m-48s(E) 11m-22s(X)
<07m-02s> P07: BSK |########### | [058%] 06m-32s(E) 11m-12s(X)
<07m-21s> P01: BSK |############ | [060%] 06m-50s(E) 11m-23s(X)
<07m-21s> P02: BSK |############ | [060%] 06m-50s(E) 11m-23s(X)
<06m-16s> P12: BSK |########## | [053%] 05m-45s(E) 10m-50s(X)
<05m-41s> P16: BSK |######### | [047%] 05m-10s(E) 10m-57s(X)
<06m-51s> P10: BSK |########### | [057%] 06m-21s(E) 11m-07s(X)
<08m-11s> P02: BSK |############# | [065%] 07m-40s(E) 11m-48s(X)
<08m-11s> P03: BSK |############# | [065%] 07m-40s(E) 11m-48s(X)
<06m-46s> P13: BSK |########### | [056%] 06m-15s(E) 11m-06s(X)
<07m-37s> P09: BSK |############ | [061%] 07m-06s(E) 11m-30s(X)
<08m-08s> P07: BSK |############ | [064%] 07m-37s(E) 11m-47s(X)
<07m-32s> P11: BSK |############ | [061%] 07m-01s(E) 11m-29s(X)
<07m-16s> P14: BSK |########### | [059%] 06m-45s(E) 11m-20s(X)
<08m-50s> P03: BSK |############## | [070%] 08m-19s(E) 11m-53s(X)
<08m-50s> P05: BSK |############## | [070%] 08m-19s(E) 11m-53s(X)
<08m-51s> P06: BSK |############## | [070%] 08m-20s(E) 11m-52s(X)
<08m-27s> P10: BSK |############# | [067%] 07m-56s(E) 11m-48s(X)
<08m-11s> P12: BSK |############# | [065%] 07m-41s(E) 11m-44s(X)
<07m-48s> P15: BSK |############ | [062%] 07m-17s(E) 11m-34s(X)
<09m-13s> P07: BSK |############## | [072%] 08m-42s(E) 11m-59s(X)
<09m-03s> P09: BSK |############## | [071%] 08m-32s(E) 11m-57s(X)
<09m-18s> P08: BSK |############## | [073%] 08m-47s(E) 12m-02s(X)
<09m-40s> P03: BSK |############### | [075%] 09m-09s(E) 12m-13s(X)
<08m-17s> P16: BSK |############# | [065%] 07m-46s(E) 11m-49s(X)
<08m-52s> P13: BSK |############## | [070%] 08m-21s(E) 11m-54s(X)
<09m-18s> P11: BSK |############## | [073%] 08m-47s(E) 12m-02s(X)
<10m-20s> P07: BSK |############### | [077%] 09m-49s(E) 12m-39s(X)
<10m-02s> P10: BSK |############### | [076%] 09m-31s(E) 12m-24s(X)
<10m-49s> P02: BSK |################ | [080%] 10m-18s(E) 12m-53s(X)
<10m-48s> P01: BSK |################ | [080%] 10m-17s(E) 12m-51s(X)
<10m-47s> P06: BSK |################ | [080%] 10m-16s(E) 12m-50s(X)
<09m-31s> P14: BSK |############## | [074%] 09m-01s(E) 12m-08s(X)
<10m-34s> P08: BSK |############### | [078%] 10m-03s(E) 12m-48s(X)
<10m-29s> P09: BSK |############### | [078%] 09m-58s(E) 12m-45s(X)
<10m-08s> P12: BSK |############### | [077%] 09m-38s(E) 12m-29s(X)
<11m-26s> P07: BSK |################ | [083%] 10m-55s(E) 13m-01s(X)
<10m-14s> P15: BSK |############### | [077%] 09m-43s(E) 12m-34s(X)
<11m-03s> P11: BSK |################ | [081%] 10m-32s(E) 12m-59s(X)
<11m-40s> P02: BSK |################# | [085%] 11m-09s(E) 13m-07s(X)
<10m-58s> P13: BSK |################ | [080%] 10m-27s(E) 12m-57s(X)
<11m-49s> P08: BSK |################# | [085%] 11m-18s(E) 13m-12s(X)
<11m-38s> P10: BSK |################ | [084%] 11m-07s(E) 13m-07s(X)
<11m-54s> P09: BSK |################# | [086%] 11m-23s(E) 13m-13s(X)
<10m-53s> P16: BSK |################ | [080%] 10m-22s(E) 12m-54s(X)
<12m-32s> P07: BSK |################# | [087%] 12m-01s(E) 13m-45s(X)
<12m-55s> P05: BSK |################## | [090%] 12m-24s(E) 13m-47s(X)
<12m-53s> P06: BSK |################## | [090%] 12m-22s(E) 13m-45s(X)
<12m-55s> P02: BSK |################## | [090%] 12m-24s(E) 13m-47s(X)
<11m-47s> P14: BSK |################# | [085%] 11m-16s(E) 13m-11s(X)
<12m-08s> P12: BSK |################# | [086%] 11m-37s(E) 13m-24s(X)
<13m-04s> P08: BSK |################## | [090%] 12m-33s(E) 13m-48s(X)
<12m-49s> P11: BSK |################# | [089%] 12m-18s(E) 13m-46s(X)
<13m-38s> P07: BSK |################## | [094%] 13m-07s(E) 13m-56s(X)
<13m-20s> P09: BSK |################## | [092%] 12m-49s(E) 13m-50s(X)
<13m-13s> P10: BSK |################## | [092%] 12m-42s(E) 13m-48s(X)
<13m-03s> P13: BSK |################## | [090%] 12m-32s(E) 13m-48s(X)
<14m-01s> P02: BSK |################### | [095%] 13m-30s(E) 14m-13s(X)
<13m-59s> P01: BSK |################### | [095%] 13m-28s(E) 14m-10s(X)
<15m-21s> P01: BSK |####################| [100%] 14m-50s(E) 14m-50s(X)
<15m-21s> [M 0.019 Gb] Free WF ( 0.293)
<15m-21s> [07] BSE solver(s)
<15m-21s> [07.01] Diagonalization solver
<15m-21s> [M 0.214 Gb] Alloc BS_mat ( 0.195)
<15m-22s> P06: BSK |####################| [100%] 14m-51s(E) 14m-51s(X)
<14m-03s> P12: BSK |################### | [095%] 13m-32s(E) 14m-12s(X)
<14m-50s> P10: BSK |################### | [098%] 14m-19s(E) 14m-31s(X)
<15m-08s> P13: BSK |################### | [099%] 14m-37s(E) 14m-43s(X)
<14m-34s> P11: BSK |################### | [097%] 14m-03s(E) 14m-24s(X)
<14m-45s> P09: BSK |################### | [098%] 14m-14s(E) 14m-29s(X)
<15m-25s> P02: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<13m-29s> P16: BSK |################## | [093%] 12m-58s(E) 13m-52s(X)
<15m-23s> BSK diagonalize | | [000%] --(E) --(X)
<19m-50s> P01: BSK diagonalize |####################| [100%] 04m-26s(E) 04m-26s(X)
<19m-50s> BSK residuals | | [000%] --(E) --(X)
<15m-25s> P04: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<14m-45s> P07: BSK |################### | [098%] 14m-14s(E) 14m-28s(X)
<15m-25s> P03: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<14m-20s> P08: BSK |################### | [096%] 13m-49s(E) 14m-22s(X)
<14m-03s> P14: BSK |################### | [095%] 13m-32s(E) 14m-14s(X)
<15m-25s> P05: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<15m-08s> P15: BSK |################### | [099%] 14m-37s(E) 14m-42s(X)
<19m-50s> P01: BSK residuals |####################| [100%] --(E) --(X)
<19m-52s> BSK res epsilon | | [000%] --(E) --(X)
<19m-52s> P01: BSK res epsilon |####################| [100%] --(E) --(X)
<19m-53s> [M 0.019 Gb] Free BS_mat ( 0.195)
<19m-53s> [08] Game Over & Game summary
<---> [01] Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Non periodic geometry
<---> [02.06] Energies [ev] & Occupations
<---> [WARNING]Metallic system
<---> [03] Transferred momenta grid
<---> X indexes | | [000%] --(E) --(X)
<---> X indexes |####################| [100%] --(E) --(X)
<---> SE indexes | | [000%] --(E) --(X)
<---> SE indexes |####################| [100%] --(E) --(X)
<---> [04] Static Dielectric Matrix
<---> [WARNING]BS bands redefined to be :2 - 8
<---> [WARNING]E/h energy range :-11.02120 - 3.083315 eV
<---> [05] External QP corrections (K)
<---> [QP@K] E<./02_gw-p/ndb.QP[ PPA XG:101 Xb:1 18 Scb:1 18]
<02s> [QP] Kpts covered exactly [o/o]: 100.0000
<02s> [05.01] Main loop
<02s> [WARNING] The system is a metal but Drude term not included.
<02s> [M 0.126 Gb] Alloc WF ( 0.107)
<02s> [WF-Oscillators/G space loader] Wfs (re)loading | | [000%] --(E) --(X)
<04s> [WF-Oscillators/G space loader] Wfs (re)loading |####################| [100%] 01s(E) 01s(X)
<04s> [X] Using Kohn-Sham energies for the dipoles
<04s> Dipole (T): | | [000%] --(E) --(X)
<04s> P01: Dipole (T): |####################| [100%] --(E) --(X)
<04s> [M 0.019 Gb] Free WF ( 0.107)
<04s> [WARNING] Missing non-local pseudopotential contribution
<04s> [06] Bethe-Salpeter Kernel
<04s> [BSE] Kernel dimension : 2555
<04s> [06.01] Screened interaction header I/O
<04s> Filling Estimation | | [000%] --(E) --(X)
<04s> P01: Filling Estimation |####################| [100%] --(E) --(X)
<04s> [P 01] Kernel filling [o/o] 6.250011
<04s> [P 02] Kernel filling [o/o] 6.250011
<04s> [P 03] Kernel filling [o/o] 6.250011
<04s> [P 04] Kernel filling [o/o] 6.250011
<04s> [P 05] Kernel filling [o/o] 6.250011
<04s> [P 06] Kernel filling [o/o] 6.250011
<04s> [P 07] Kernel filling [o/o] 6.250011
<04s> [P 08] Kernel filling [o/o] 6.250011
<04s> [P 09] Kernel filling [o/o] 6.250011
<04s> [P 10] Kernel filling [o/o] 6.250011
<04s> [P 11] Kernel filling [o/o] 6.249981
<04s> [P 12] Kernel filling [o/o] 6.249981
<04s> [P 13] Kernel filling [o/o] 6.249981
<04s> [P 14] Kernel filling [o/o] 6.249981
<04s> [P 15] Kernel filling [o/o] 6.249981
<04s> [P 16] Kernel filling [o/o] 6.249981
<04s> [M 0.312 Gb] Alloc WF ( 0.293)
<05s> [FFT-BSK] Mesh size: 15 15 120
<05s> [WF-BSK loader] Wfs (re)loading | | [000%] --(E) --(X)
<09s> [WF-BSK loader] Wfs (re)loading |####################| [100%] 04s(E) 04s(X)
<30s> [06.01] Main loop
<30s> BSK | | [000%] --(E) --(X)
<59s> P02: BSK |# | [005%] 28s(E) 09m-15s(X)
<59s> P01: BSK |# | [005%] 28s(E) 09m-15s(X)
<01m-06s> P04: BSK |# | [006%] 35s(E) 09m-27s(X)
<01m-28s> P03: BSK |## | [010%] 57s(E) 09m-30s(X)
<01m-28s> P01: BSK |## | [010%] 57s(E) 09m-30s(X)
<01m-28s> P02: BSK |## | [010%] 57s(E) 09m-30s(X)
<01m-16s> P05: BSK |# | [007%] 45s(E) 09m-41s(X)
<01m-41s> P04: BSK |## | [012%] 01m-10s(E) 09m-13s(X)
<01m-26s> P06: BSK |# | [009%] 55s(E) 09m-37s(X)
<01m-56s> P02: BSK |### | [015%] 01m-25s(E) 09m-29s(X)
<01m-36s> P07: BSK |## | [011%] 01m-05s(E) 09m-08s(X)
<02m-01s> P05: BSK |### | [015%] 01m-31s(E) 09m-30s(X)
<02m-16s> P04: BSK |### | [018%] 01m-45s(E) 09m-29s(X)
<02m-27s> P01: BSK |#### | [020%] 01m-56s(E) 09m-40s(X)
<02m-27s> P03: BSK |#### | [020%] 01m-56s(E) 09m-40s(X)
<02m-27s> P02: BSK |#### | [020%] 01m-56s(E) 09m-40s(X)
<01m-46s> P08: BSK |## | [013%] 01m-15s(E) 09m-26s(X)
<02m-22s> P06: BSK |### | [019%] 01m-51s(E) 09m-30s(X)
<01m-56s> P09: BSK |## | [014%] 01m-25s(E) 09m-31s(X)
<02m-51s> P04: BSK |#### | [023%] 02m-20s(E) 09m-51s(X)
<02m-47s> P05: BSK |#### | [023%] 02m-16s(E) 09m-46s(X)
<03m-00s> P01: BSK |##### | [025%] 02m-29s(E) 09m-58s(X)
<02m-06s> P10: BSK |### | [016%] 01m-35s(E) 09m-28s(X)
<02m-41s> P07: BSK |#### | [022%] 02m-10s(E) 09m-44s(X)
<02m-16s> P11: BSK |### | [018%] 01m-45s(E) 09m-29s(X)
<03m-34s> P02: BSK |###### | [030%] 03m-03s(E) 10m-11s(X)
<03m-34s> P01: BSK |###### | [030%] 03m-03s(E) 10m-11s(X)
<03m-34s> P03: BSK |###### | [030%] 03m-03s(E) 10m-11s(X)
<03m-27s> P04: BSK |##### | [029%] 02m-56s(E) 10m-05s(X)
<03m-17s> P06: BSK |##### | [027%] 02m-46s(E) 09m-55s(X)
<03m-02s> P08: BSK |##### | [025%] 02m-31s(E) 09m-58s(X)
<03m-32s> P05: BSK |##### | [029%] 03m-01s(E) 10m-10s(X)
<02m-25s> P12: BSK |### | [019%] 01m-55s(E) 09m-36s(X)
<04m-02s> P01: BSK |####### | [035%] 03m-31s(E) 10m-02s(X)
<04m-02s> P04: BSK |####### | [035%] 03m-31s(E) 10m-02s(X)
<02m-36s> P13: BSK |#### | [021%] 02m-05s(E) 09m-44s(X)
<03m-21s> P09: BSK |##### | [028%] 02m-50s(E) 09m-57s(X)
<03m-46s> P07: BSK |###### | [032%] 03m-15s(E) 10m-02s(X)
<02m-46s> P14: BSK |#### | [023%] 02m-15s(E) 09m-46s(X)
<04m-18s> P05: BSK |####### | [037%] 03m-47s(E) 10m-10s(X)
<04m-12s> P06: BSK |####### | [036%] 03m-41s(E) 10m-04s(X)
<03m-41s> P10: BSK |###### | [031%] 03m-10s(E) 10m-07s(X)
<04m-39s> P01: BSK |######## | [040%] 04m-08s(E) 10m-21s(X)
<04m-39s> P03: BSK |######## | [040%] 04m-08s(E) 10m-21s(X)
<04m-39s> P04: BSK |######## | [040%] 04m-08s(E) 10m-21s(X)
<02m-56s> P15: BSK |#### | [024%] 02m-25s(E) 09m-57s(X)
<04m-17s> P08: BSK |####### | [037%] 03m-46s(E) 10m-09s(X)
<03m-06s> P16: BSK |##### | [025%] 02m-35s(E) 09m-57s(X)
<04m-01s> P11: BSK |###### | [034%] 03m-30s(E) 10m-02s(X)
<05m-03s> P05: BSK |######## | [043%] 04m-32s(E) 10m-31s(X)
<04m-52s> P07: BSK |######## | [041%] 04m-21s(E) 10m-28s(X)
<05m-20s> P01: BSK |######### | [045%] 04m-49s(E) 10m-41s(X)
<05m-20s> P04: BSK |######### | [045%] 04m-49s(E) 10m-41s(X)
<05m-07s> P06: BSK |######## | [043%] 04m-36s(E) 10m-32s(X)
<04m-47s> P09: BSK |######## | [040%] 04m-16s(E) 10m-25s(X)
<04m-21s> P12: BSK |####### | [037%] 03m-50s(E) 10m-11s(X)
<05m-48s> P05: BSK |######### | [048%] 05m-17s(E) 11m-01s(X)
<05m-59s> P01: BSK |########## | [050%] 05m-28s(E) 10m-55s(X)
<04m-41s> P13: BSK |######## | [040%] 04m-10s(E) 10m-22s(X)
<05m-32s> P08: BSK |######### | [046%] 05m-01s(E) 10m-49s(X)
<05m-16s> P10: BSK |######## | [044%] 04m-45s(E) 10m-40s(X)
<06m-03s> P06: BSK |########## | [051%] 05m-32s(E) 10m-51s(X)
<05m-57s> P07: BSK |######### | [049%] 05m-26s(E) 10m-57s(X)
<05m-01s> P14: BSK |######## | [042%] 04m-30s(E) 10m-31s(X)
<06m-34s> P05: BSK |########## | [054%] 06m-03s(E) 11m-00s(X)
<06m-34s> P01: BSK |########### | [055%] 06m-03s(E) 11m-01s(X)
<06m-35s> P02: BSK |########### | [055%] 06m-04s(E) 11m-01s(X)
<05m-47s> P11: BSK |######### | [047%] 05m-16s(E) 11m-00s(X)
<06m-12s> P09: BSK |########## | [052%] 05m-41s(E) 10m-52s(X)
<05m-22s> P15: BSK |######### | [045%] 04m-51s(E) 10m-42s(X)
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<12m-55s> P05: BSK |################## | [090%] 12m-24s(E) 13m-47s(X)
<12m-53s> P06: BSK |################## | [090%] 12m-22s(E) 13m-45s(X)
<12m-55s> P02: BSK |################## | [090%] 12m-24s(E) 13m-47s(X)
<11m-47s> P14: BSK |################# | [085%] 11m-16s(E) 13m-11s(X)
<12m-08s> P12: BSK |################# | [086%] 11m-37s(E) 13m-24s(X)
<13m-04s> P08: BSK |################## | [090%] 12m-33s(E) 13m-48s(X)
<12m-49s> P11: BSK |################# | [089%] 12m-18s(E) 13m-46s(X)
<13m-38s> P07: BSK |################## | [094%] 13m-07s(E) 13m-56s(X)
<13m-20s> P09: BSK |################## | [092%] 12m-49s(E) 13m-50s(X)
<13m-13s> P10: BSK |################## | [092%] 12m-42s(E) 13m-48s(X)
<13m-03s> P13: BSK |################## | [090%] 12m-32s(E) 13m-48s(X)
<14m-01s> P02: BSK |################### | [095%] 13m-30s(E) 14m-13s(X)
<13m-59s> P01: BSK |################### | [095%] 13m-28s(E) 14m-10s(X)
<15m-21s> P01: BSK |####################| [100%] 14m-50s(E) 14m-50s(X)
<15m-21s> [M 0.019 Gb] Free WF ( 0.293)
<15m-21s> [07] BSE solver(s)
<15m-21s> [07.01] Diagonalization solver
<15m-21s> [M 0.214 Gb] Alloc BS_mat ( 0.195)
<15m-22s> P06: BSK |####################| [100%] 14m-51s(E) 14m-51s(X)
<14m-03s> P12: BSK |################### | [095%] 13m-32s(E) 14m-12s(X)
<14m-50s> P10: BSK |################### | [098%] 14m-19s(E) 14m-31s(X)
<15m-08s> P13: BSK |################### | [099%] 14m-37s(E) 14m-43s(X)
<14m-34s> P11: BSK |################### | [097%] 14m-03s(E) 14m-24s(X)
<14m-45s> P09: BSK |################### | [098%] 14m-14s(E) 14m-29s(X)
<15m-25s> P02: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<13m-29s> P16: BSK |################## | [093%] 12m-58s(E) 13m-52s(X)
<15m-23s> BSK diagonalize | | [000%] --(E) --(X)
<19m-50s> P01: BSK diagonalize |####################| [100%] 04m-26s(E) 04m-26s(X)
<19m-50s> BSK residuals | | [000%] --(E) --(X)
<15m-25s> P04: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<14m-45s> P07: BSK |################### | [098%] 14m-14s(E) 14m-28s(X)
<15m-25s> P03: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<14m-20s> P08: BSK |################### | [096%] 13m-49s(E) 14m-22s(X)
<14m-03s> P14: BSK |################### | [095%] 13m-32s(E) 14m-14s(X)
<15m-25s> P05: BSK |####################| [100%] 14m-54s(E) 14m-54s(X)
<15m-08s> P15: BSK |################### | [099%] 14m-37s(E) 14m-42s(X)
<19m-50s> P01: BSK residuals |####################| [100%] --(E) --(X)
<19m-52s> BSK res epsilon | | [000%] --(E) --(X)
<19m-52s> P01: BSK res epsilon |####################| [100%] --(E) --(X)
<19m-53s> [M 0.019 Gb] Free BS_mat ( 0.195)
<19m-53s> [08] Game Over & Game summary
Dr. Zhou Liu-Jiang
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
-
Daniele Varsano
- Posts: 4231
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: exciton wave plot without any output files
Dear Zhou,
the standard output looks the job has finished correctly. I presume you have also the output file o.eps_q1_diago_bse
You should also have the corresponding databases, unless you have redirected the outputs using the -J option
If it is case you should move the database in your SAVE directory. If this is not the case, please post your report file of the BS calculation.
Best,
Daniele
the standard output looks the job has finished correctly. I presume you have also the output file o.eps_q1_diago_bse
You should also have the corresponding databases, unless you have redirected the outputs using the -J option
If it is case you should move the database in your SAVE directory. If this is not the case, please post your report file of the BS calculation.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/