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Re: [Wien] Regarding adding BoltzTraP to WIEN2k in graphical interface w2web
Mohaddeseh Abbasnejad
[Wien] EECE with orbc
Xavier Rocquefelte
Re: [Wien] EECE with orbc
Laurence Marks
Re: [Wien] EECE with orbc
Laurence Marks
Re: [Wien] EECE with orbc
Xavier Rocquefelte
[Wien] Confusion regarding the convergence of a supercell and the parallel calculation
Anupriya Nyayban
Re: [Wien] Confusion regarding the convergence of a supercell and the parallel calculation
Peter Blaha
[Wien] Error in paralel Lapw1
Murat Aycibin
Re: [Wien] Error in paralel Lapw1
Peter Blaha
Re: [Wien] Error in paralel Lapw1
Gavin Abo
Re: [Wien] Error in paralel Lapw1
Lyudmila Dobysheva
[Wien] Large forces appeared when calculating total energy after structure optimization
shamik chakrabarti
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
Peter Blaha
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
Gavin Abo
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
shamik chakrabarti
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
shamik chakrabarti
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
Laurence Marks
[Wien] Compilation options
Laurence Marks
[Wien] error 'n paralel lapw1
Murat Aycibin
Re: [Wien] error 'n paralel lapw1
Peter Blaha
Re: [Wien] error 'n paralel lapw1
Gavin Abo
[Wien] Fwd: qtl problem
Peter Blaha
Re: [Wien] Fwd: qtl problem
sjalali
[Wien] Fwd: Query regarding the structure generation
Subhasis Panda
Re: [Wien] Fwd: Query regarding the structure generation
Peter Blaha
[Wien] Run SCF for Supercell ZnO:Mg
Murat Aycibin
Re: [Wien] Run SCF for Supercell ZnO:Mg
Laurence Marks
[Wien] After supercell, add impurity... x sgroup change space group
Serhat Ayık
Re: [Wien] After supercell, add impurity... x sgroup change space group
Laurence Marks
Re: [Wien] After supercell, add impurity... x sgroup change space group
Peter Blaha
Re: [Wien] After supercell, add impurity... x sgroup change space group
Serhat Ayık
[Wien] band structure with hybrid functional fails
pboulet
Re: [Wien] band structure with hybrid functional fails
Peter Blaha
Re: [Wien] band structure with hybrid functional fails
pboulet
Re: [Wien] band structure with hybrid functional fails
Peter Blaha
Re: [Wien] band structure with hybrid functional fails
pboulet
[Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Martin Kroeker
Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Peter Blaha
[Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Martin Kroeker
Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Laurence Marks
Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Peter Blaha
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
巴拉比
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
Peter Blaha
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
??????
[Wien] Bands are often not smooth when zoom in
??????
[Wien] Bands are often not smooth when zoom in
??????
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
Zhu, Jianxin
[Wien] XMCD S K-edge
KRISH
Re: [Wien] XMCD S K-edge
Peter Blaha
Re: [Wien] XMCD S K-edge
KRISH
Re: [Wien] XMCD S K-edge
Gavin Abo
Re: [Wien] XMCD S K-edge
KRISH
Re: [Wien] XMCD S K-edge
Peter Blaha
Re: [Wien] XMCD S K-edge
KRISH
Re: [Wien] XMCD S K-edge
Peter Blaha
Re: [Wien] XMCD S K-edge
Fecher, Gerhard
Re: [Wien] XMCD S K-edge
Lee, Yongbin [A LAB]
Re: [Wien] XMCD S K-edge
KRISH
Re: [Wien] XMCD S K-edge
Lee, Yongbin [A LAB]
[Wien] Full hybrid methode
djamel slamnia
Re: [Wien] Full hybrid methode
Peter Blaha
[Wien] Which kind of k-points should be set to have the same number for structural optimization
Yifan Ding
Re: [Wien] Which kind of k-points should be set to have the same number for structural optimization
Peter Blaha
[Wien] Which kind of k-points should be set to have the same number for structural optimization
Yifan Ding
[Wien] case.inkram
karima Physique
Re: [Wien] case.inkram
Karel Vyborny
Re: [Wien] case.inkram
Peter Blaha
Re: [Wien] case.inkram
Karel Vyborny
Re: [Wien] case.inkram
Gavin Abo
Re: [Wien] case.inkram
karima Physique
[Wien] (no subject)
Subhasis Panda
Re: [Wien] run_lapw command not found
Gavin Abo
[Wien] (no subject)
Sanjay Pachori
Re: [Wien] (no subject)
Stefaan Cottenier
Re: [Wien] (no subject)
Sanjay Pachori
[Wien] (no subject)
ISRAR AHMAD
[Wien] (no subject)
Shalika R. Bhandari
[Wien] (no subject)
shamik chakrabarti
[Wien] (no subject)
RAKESH KUMAR
Re: [Wien] (no subject)
Peter Blaha
[Wien] DOS with -hf
Serhat Ayık
Re: [Wien] DOS with -hf
Peter Blaha
Re: [Wien] DOS with -hf
Serhat Ayık
Re: [Wien] DOS with -hf
Peter Blaha
Re: [Wien] DOS with -hf
Serhat Ayık
Re: [Wien] DOS with -hf
djamel slamnia
Re: [Wien] DOS with -hf
Peter Blaha
[Wien] running SCF problems
Ramazan KATIRCI
Re: [Wien] running SCF problems
Laurence Marks
Re: [Wien] running SCF problems
Lyudmila Dobysheva
Re: [Wien] running SCF problems
Peter Blaha
[Wien] Problem faced during elastic calculation
upasana chauhan
Re: [Wien] Problem faced during elastic calculation
Peter Blaha
Re: [Wien] Problem faced during elastic calculation
upasana chauhan
Re: [Wien] Problem faced during elastic calculation
Lyudmila Dobysheva
[Wien] Error in compilation of lapw0
Vidit Zala
Re: [Wien] Error in compilation of lapw0
Laurence Marks
[Wien] Formation energy
abderrazek khireddine
Re: [Wien] Formation energy
Gavin Abo
[Wien] Bandgap values in hybrid calculations.
Serhat Ayık
Re: [Wien] Bandgap values in hybrid calculations.
Laurence Marks
[Wien] write_inwf syntaxerror
Abhijit B K
Re: [Wien] write_inwf syntaxerror
Gavin Abo
Re: [Wien] write_inwf syntaxerror
Rubel, Oleg
Re: [Wien] write_inwf syntaxerror
Abhijit B K
[Wien] inefficiency of lapw2 on clusters
Fan
Re: [Wien] inefficiency of lapw2 on clusters
Peter Blaha
Re: [Wien] inefficiency of lapw2 on clusters
Fan
Re: [Wien] inefficiency of lapw2 on clusters
Laurence Marks
Re: [Wien] inefficiency of lapw2 on clusters
Fan
[Wien] does dftd3 not work with mBJ
fatima DFT
Re: [Wien] does dftd3 not work with mBJ
Tran, Fabien
Re: [Wien] does dftd3 not work with mBJ
fatima DFT
Re: [Wien] does dftd3 not work with mBJ
Tran, Fabien
[Wien] Ghost bands citation
Laurence Marks
Re: [Wien] Ghost bands citation
Peter Blaha
[Wien] error in DOS
abderrazek khireddine
Re: [Wien] error in DOS
abderrazek khireddine
Re: [Wien] error in DOS
Peter Blaha
Re: [Wien] error in DOS
abderrazek khireddine
Re: [Wien] error in DOS
aek boudali
[Wien] [EXTERNAL] Re: Bug in nn
Peter Blaha
Re: [Wien] [EXTERNAL] Re: Bug in nn
Parker, David S.
Re: [Wien] [EXTERNAL] Re: Bug in nn
Peter Blaha
[Wien] Some questions about mstar code
Majid Yazdani
[Wien] KP in mstar output files
Majid Yazdani
Re: [Wien] KP in mstar output files
Peter Blaha
Re: [Wien] KP in mstar output files
Rubel, Oleg
[Wien] About qtl outputs
Fan
Re: [Wien] About qtl outputs
Peter Blaha
[Wien] fold2bloch: problem with K - path in hexagonal lattice
Wolszczak, Weronika
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Rubel, Oleg
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Rubel, Oleg
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Peter Blaha
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Rubel, Oleg
[Wien] Self Interaction Correction (SIC)
Wanderson Lobato Ferreira
Re: [Wien] Self Interaction Correction (SIC)
Tran, Fabien
Re: [Wien] Self Interaction Correction (SIC)
Peter Blaha
Re: [Wien] Self Interaction Correction (SIC)
Wanderson Lobato Ferreira
Re: [Wien] Self Interaction Correction (SIC)
Peter Blaha
[Wien] Partial DOS calculation alomnh high symmetry direction
Coriolan TIUSAN
Re: [Wien] Partial DOS calculation alomnh high symmetry direction
Peter Blaha
Re: [Wien] [Extern] Re: Partial DOS calculation alomnh high symmetry direction
Coriolan TIUSAN
[Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Laurence Marks
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Laurence Marks
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Gavin Abo
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Tran, Fabien
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Laurence Marks
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
Re: [Wien] [EXTERNAL] Re: nn distance limit
Parker, David S.
Re: [Wien] [EXTERNAL] Re: nn distance limit
Laurence Marks
Re: [Wien] [EXTERNAL] Re: nn distance limit
Tran, Fabien
Re: [Wien] [EXTERNAL] Re: nn distance limit
Laurence Marks
Re: [Wien] [EXTERNAL] Re: nn distance limit
Parker, David S.
Re: [Wien] [EXTERNAL] Re: nn distance limit
Laurence Marks
[Wien] twisted angle
Brik Hamida
[Wien] twisted angle
Brik Hamida
Re: [Wien] twisted angle
Gavin Abo
Re: [Wien] twisted angle
Rubel, Oleg
[Wien] twisted angle
Brik Hamida
[Wien] TELNES calculation procedure
yunxx133 University of Minnesota
Re: [Wien] TELNES calculation procedure
Gavin Abo
Re: [Wien] TELNES calculation procedure
Peter Blaha
[Wien] convergence criteria in scf file?
Pavel Ondračka
Re: [Wien] convergence criteria in scf file?
Tran, Fabien
Re: [Wien] convergence criteria in scf file?
Pavel Ondračka
Re: [Wien] convergence criteria in scf file?
Tran, Fabien
[Wien] Fwd: Forward of moderated message
Peter Blaha
[Wien] few Wien2k compilation issues
Dr. K. C. Bhamu
Re: [Wien] few Wien2k compilation issues
Laurence Marks
Re: [Wien] few Wien2k compilation issues
Dr. K. C. Bhamu
[Wien] Incomplete DOS
delamora
Re: [Wien] Incomplete DOS
Gavin Abo
[Wien] Incomplete DOS
delamora
Re: [Wien] {Wien] Fermi levell
Peter Blaha
Re: [Wien] {Wien] Fermi levell
Laurence Marks
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
Re: [Wien] {Wien] Fermi levell
Laurence Marks
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
Re: [Wien] {Wien] Fermi levell
Laurence Marks
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
[Wien] Fwd: Fermi level!
abderrazek khireddine
Re: [Wien] Fwd: Fermi level!
Peter Blaha
Re: [Wien] Fwd: Fermi level!
Laurence Marks
[Wien] qtl: error reading parallel vectors
Christian Søndergaard Pedersen
Re: [Wien] qtl: error reading parallel vectors
Gavin Abo
Re: [Wien] qtl: error reading parallel vectors
Christian Søndergaard Pedersen
Re: [Wien] qtl: error reading parallel vectors
Gavin Abo
Re: [Wien] qtl: error reading parallel vectors
Laurence Marks
Re: [Wien] qtl: error reading parallel vectors
Peter Blaha
[Wien] Merging WIENncm with main Wien2k
Marcus Ekholm
Re: [Wien] Merging WIENncm with main Wien2k
Peter Blaha
[Wien] VBM bands are crossing Fermi level
fatima DFT
[Wien] Regarding calculation of optical properties
Mohad Abbasnejad
Re: [Wien] Regarding calculation of optical properties
Tran, Fabien
Re: [Wien] Regarding calculation of optical properties
Mohaddeseh Abbasnejad
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