Messages by Date
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2021/01/27
Re: [Wien] Run SCF for Supercell ZnO:Mg
Laurence Marks
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2021/01/27
[Wien] Run SCF for Supercell ZnO:Mg
Murat Aycibin
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2021/01/26
Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Peter Blaha
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2021/01/26
Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Laurence Marks
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2021/01/26
[Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Martin Kroeker
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2021/01/26
Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Peter Blaha
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2021/01/26
Re: [Wien] After supercell, add impurity... x sgroup change space group
Serhat Ayık
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2021/01/26
Re: [Wien] band structure with hybrid functional fails
pboulet
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2021/01/25
Re: [Wien] band structure with hybrid functional fails
Peter Blaha
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2021/01/25
Re: [Wien] After supercell, add impurity... x sgroup change space group
Peter Blaha
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2021/01/25
Re: [Wien] XMCD S K-edge
Gavin Abo
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2021/01/25
Re: [Wien] XMCD S K-edge
KRISH
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2021/01/24
Re: [Wien] After supercell, add impurity... x sgroup change space group
Laurence Marks
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2021/01/24
[Wien] After supercell, add impurity... x sgroup change space group
Serhat Ayık
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2021/01/24
Re: [Wien] band structure with hybrid functional fails
pboulet
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2021/01/24
Re: [Wien] band structure with hybrid functional fails
Peter Blaha
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2021/01/23
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
??????
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2021/01/23
[Wien] band structure with hybrid functional fails
pboulet
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2021/01/23
[Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Martin Kroeker
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2021/01/23
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
Peter Blaha
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2021/01/22
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
巴拉比
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2021/01/22
Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in
Zhu, Jianxin
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2021/01/22
[Wien] Bands are often not smooth when zoom in
??????
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2021/01/22
[Wien] Bands are often not smooth when zoom in
??????
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2021/01/22
Re: [Wien] XMCD S K-edge
Peter Blaha
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2021/01/22
[Wien] XMCD S K-edge
KRISH
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2021/01/18
[Wien] Full hybrid methode
djamel slamnia
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2021/01/18
Re: [Wien] Full hybrid methode
Peter Blaha
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2021/01/18
Re: [Wien] DOS with -hf
Peter Blaha
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2021/01/18
Re: [Wien] DOS with -hf
djamel slamnia
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2021/01/17
Re: [Wien] case.inkram
Karel Vyborny
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2021/01/16
Re: [Wien] case.inkram
karima Physique
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2021/01/16
[Wien] Which kind of k-points should be set to have the same number for structural optimization
Yifan Ding
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2021/01/16
Re: [Wien] case.inkram
Gavin Abo
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2021/01/16
Re: [Wien] Which kind of k-points should be set to have the same number for structural optimization
Peter Blaha
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2021/01/16
Re: [Wien] DOS with -hf
Serhat Ayık
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2021/01/16
[Wien] Which kind of k-points should be set to have the same number for structural optimization
Yifan Ding
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2021/01/15
Re: [Wien] case.inkram
Peter Blaha
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2021/01/15
Re: [Wien] case.inkram
Karel Vyborny
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2021/01/15
[Wien] case.inkram
karima Physique
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2021/01/15
Re: [Wien] DOS with -hf
Peter Blaha
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2021/01/15
Re: [Wien] run_lapw command not found
Gavin Abo
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2021/01/15
[Wien] (no subject)
Subhasis Panda
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2021/01/14
Re: [Wien] DOS with -hf
Serhat Ayık
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2021/01/14
Re: [Wien] DOS with -hf
Peter Blaha
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2021/01/14
[Wien] DOS with -hf
Serhat Ayık
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2021/01/09
Re: [Wien] Problem faced during elastic calculation
upasana chauhan
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2021/01/08
Re: [Wien] running SCF problems
Peter Blaha
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2021/01/08
Re: [Wien] running SCF problems
Lyudmila Dobysheva
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2021/01/08
Re: [Wien] Problem faced during elastic calculation
Lyudmila Dobysheva
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2021/01/08
Re: [Wien] Problem faced during elastic calculation
Peter Blaha
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2021/01/08
Re: [Wien] running SCF problems
Laurence Marks
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2021/01/07
[Wien] running SCF problems
Ramazan KATIRCI
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2021/01/07
[Wien] Problem faced during elastic calculation
upasana chauhan
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2021/01/07
Re: [Wien] Error in compilation of lapw0
Laurence Marks
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2021/01/07
[Wien] Error in compilation of lapw0
Vidit Zala
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2021/01/01
Re: [Wien] Formation energy
Gavin Abo
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2021/01/01
[Wien] Formation energy
abderrazek khireddine
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2020/12/29
Re: [Wien] write_inwf syntaxerror
Abhijit B K
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2020/12/29
Re: [Wien] Bandgap values in hybrid calculations.
Laurence Marks
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2020/12/29
[Wien] Bandgap values in hybrid calculations.
Serhat Ayık
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2020/12/28
Re: [Wien] write_inwf syntaxerror
Rubel, Oleg
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2020/12/28
Re: [Wien] write_inwf syntaxerror
Gavin Abo
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2020/12/28
Re: [Wien] inefficiency of lapw2 on clusters
Fan
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2020/12/28
Re: [Wien] inefficiency of lapw2 on clusters
Laurence Marks
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2020/12/28
[Wien] write_inwf syntaxerror
Abhijit B K
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2020/12/28
Re: [Wien] inefficiency of lapw2 on clusters
Fan
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2020/12/28
Re: [Wien] inefficiency of lapw2 on clusters
Peter Blaha
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2020/12/28
[Wien] inefficiency of lapw2 on clusters
Fan
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2020/12/25
Re: [Wien] does dftd3 not work with mBJ
Tran, Fabien
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2020/12/25
Re: [Wien] does dftd3 not work with mBJ
fatima DFT
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2020/12/25
Re: [Wien] does dftd3 not work with mBJ
Tran, Fabien
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2020/12/25
[Wien] does dftd3 not work with mBJ
fatima DFT
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2020/12/23
Re: [Wien] error in DOS
aek boudali
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2020/12/22
Re: [Wien] error in DOS
abderrazek khireddine
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2020/12/22
Re: [Wien] Ghost bands citation
Peter Blaha
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2020/12/22
[Wien] Ghost bands citation
Laurence Marks
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2020/12/22
Re: [Wien] error in DOS
Peter Blaha
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2020/12/21
Re: [Wien] error in DOS
abderrazek khireddine
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2020/12/21
[Wien] error in DOS
abderrazek khireddine
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2020/12/14
Re: [Wien] [EXTERNAL] Re: Bug in nn
Parker, David S.
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2020/12/14
Re: [Wien] [EXTERNAL] Re: Bug in nn
Peter Blaha
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2020/12/14
[Wien] [EXTERNAL] Re: Bug in nn
Peter Blaha
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2020/12/03
Re: [Wien] KP in mstar output files
Rubel, Oleg
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2020/12/02
[Wien] Some questions about mstar code
Majid Yazdani
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2020/12/02
Re: [Wien] KP in mstar output files
Peter Blaha
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2020/12/02
[Wien] KP in mstar output files
Majid Yazdani
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2020/11/26
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Rubel, Oleg
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2020/11/23
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Peter Blaha
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2020/11/23
Re: [Wien] About qtl outputs
Peter Blaha
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2020/11/23
[Wien] About qtl outputs
Fan
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2020/11/21
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Rubel, Oleg
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2020/11/20
Re: [Wien] fold2bloch: problem with K - path in hexagonal lattice
Rubel, Oleg
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2020/11/19
[Wien] fold2bloch: problem with K - path in hexagonal lattice
Wolszczak, Weronika
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2020/11/17
Re: [Wien] Self Interaction Correction (SIC)
Peter Blaha
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2020/11/17
Re: [Wien] Self Interaction Correction (SIC)
Wanderson Lobato Ferreira
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2020/11/17
Re: [Wien] Self Interaction Correction (SIC)
Peter Blaha
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2020/11/17
Re: [Wien] Self Interaction Correction (SIC)
Tran, Fabien
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2020/11/17
[Wien] Self Interaction Correction (SIC)
Wanderson Lobato Ferreira
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2020/11/16
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
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2020/11/15
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Laurence Marks
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2020/11/15
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Tran, Fabien
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2020/11/14
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
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2020/11/14
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
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2020/11/14
Re: [Wien] [Extern] Re: Partial DOS calculation alomnh high symmetry direction
Coriolan TIUSAN
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2020/11/14
Re: [Wien] Partial DOS calculation alomnh high symmetry direction
Peter Blaha
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2020/11/13
[Wien] Partial DOS calculation alomnh high symmetry direction
Coriolan TIUSAN
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2020/11/13
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Gavin Abo
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2020/11/13
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Laurence Marks
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2020/11/13
Re: [Wien] Need extensive help for a job file for slurm job scheduler cluster
Laurence Marks
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2020/11/13
[Wien] Need extensive help for a job file for slurm job scheduler cluster
Dr. K. C. Bhamu
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2020/11/11
Re: [Wien] [EXTERNAL] Re: nn distance limit
Parker, David S.
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2020/11/11
Re: [Wien] [EXTERNAL] Re: nn distance limit
Parker, David S.
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2020/11/11
Re: [Wien] [EXTERNAL] Re: nn distance limit
Laurence Marks
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2020/11/11
Re: [Wien] [EXTERNAL] Re: nn distance limit
Laurence Marks
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2020/11/11
Re: [Wien] [EXTERNAL] Re: nn distance limit
Tran, Fabien
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2020/11/11
Re: [Wien] [EXTERNAL] Re: nn distance limit
Laurence Marks
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2020/11/11
Re: [Wien] TELNES calculation procedure
Peter Blaha
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2020/11/11
Re: [Wien] TELNES calculation procedure
Gavin Abo
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2020/11/11
[Wien] twisted angle
Brik Hamida
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2020/11/10
Re: [Wien] twisted angle
Rubel, Oleg
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2020/11/09
Re: [Wien] twisted angle
Gavin Abo
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2020/11/09
[Wien] twisted angle
Brik Hamida
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2020/11/09
[Wien] twisted angle
Brik Hamida
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2020/11/08
[Wien] TELNES calculation procedure
yunxx133 University of Minnesota
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2020/11/04
[Wien] Incomplete DOS
delamora
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2020/11/04
Re: [Wien] Incomplete DOS
Gavin Abo
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2020/11/04
[Wien] Incomplete DOS
delamora
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2020/11/04
Re: [Wien] convergence criteria in scf file?
Tran, Fabien
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2020/11/04
Re: [Wien] convergence criteria in scf file?
Pavel Ondračka
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2020/11/03
Re: [Wien] convergence criteria in scf file?
Tran, Fabien
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2020/11/03
[Wien] convergence criteria in scf file?
Pavel Ondračka
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2020/11/02
[Wien] Fwd: Forward of moderated message
Peter Blaha
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2020/10/31
Re: [Wien] few Wien2k compilation issues
Dr. K. C. Bhamu
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2020/10/31
Re: [Wien] few Wien2k compilation issues
Laurence Marks
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2020/10/31
[Wien] few Wien2k compilation issues
Dr. K. C. Bhamu
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2020/10/24
Re: [Wien] qtl: error reading parallel vectors
Peter Blaha
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2020/10/24
Re: [Wien] qtl: error reading parallel vectors
Laurence Marks
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2020/10/24
Re: [Wien] qtl: error reading parallel vectors
Christian Søndergaard Pedersen
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2020/10/24
Re: [Wien] qtl: error reading parallel vectors
Gavin Abo
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2020/10/24
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
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2020/10/24
Re: [Wien] {Wien] Fermi levell
Laurence Marks
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2020/10/24
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
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2020/10/24
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
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2020/10/24
Re: [Wien] {Wien] Fermi levell
Laurence Marks
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2020/10/24
Re: [Wien] {Wien] Fermi levell
abderrazek khireddine
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2020/10/24
Re: [Wien] {Wien] Fermi levell
Laurence Marks
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2020/10/24
Re: [Wien] {Wien] Fermi levell
Peter Blaha
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2020/10/23
Re: [Wien] Fwd: Fermi level!
Laurence Marks
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2020/10/23
Re: [Wien] Fwd: Fermi level!
Peter Blaha
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2020/10/23
[Wien] Fwd: Fermi level!
abderrazek khireddine
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2020/10/20
Re: [Wien] qtl: error reading parallel vectors
Gavin Abo
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2020/10/20
[Wien] qtl: error reading parallel vectors
Christian Søndergaard Pedersen
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2020/10/19
Re: [Wien] Merging WIENncm with main Wien2k
Peter Blaha
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2020/10/19
[Wien] Merging WIENncm with main Wien2k
Marcus Ekholm
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2020/10/19
Re: [Wien] Regarding calculation of optical properties
Tran, Fabien
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2020/10/18
Re: [Wien] Regarding calculation of optical properties
Mohaddeseh Abbasnejad
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2020/10/18
Re: [Wien] Regarding calculation of optical properties
Tran, Fabien
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2020/10/17
[Wien] VBM bands are crossing Fermi level
fatima DFT
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2020/10/17
Re: [Wien] Fwd: Fwd: how to set a particular sequence of k-path
fatima DFT
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2020/10/17
Re: [Wien] Fwd: Fwd: how to set a particular sequence of k-path
Peter Blaha
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2020/10/17
Re: [Wien] Fwd: how to set a particular sequence of k-path
Peter Blaha
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2020/10/17
[Wien] Regarding calculation of optical properties
Mohad Abbasnejad
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2020/10/16
Re: [Wien] Regarding vacuum level in WIEN2k
Mohad Abbasnejad
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2020/10/16
Re: [Wien] how to set a particular sequence of k-path
Peter Blaha
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2020/10/16
Re: [Wien] how to set a particular sequence of k-path
Gavin Abo
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2020/10/16
Re: [Wien] how to set a particular sequence of k-path
fatima DFT
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2020/10/16
Re: [Wien] how to set a particular sequence of k-path
Gavin Abo
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2020/10/16
[Wien] how to set a particular sequence of k-path
fatima DFT
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2020/10/16
Re: [Wien] Regarding vacuum level in WIEN2k
Gavin Abo
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2020/10/16
Re: [Wien] Regarding vacuum level in WIEN2k
Tran, Fabien
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2020/10/16
Re: [Wien] Regarding vacuum level in WIEN2k
Tran, Fabien
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2020/10/16
Re: [Wien] Regarding vacuum level in WIEN2k
Laurence Marks
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2020/10/16
[Wien] Regarding vacuum level in WIEN2k
Mohad Abbasnejad
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2020/10/15
Re: [Wien] .machines for several nodes
Christian Søndergaard Pedersen
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2020/10/15
Re: [Wien] .machines for several nodes
Laurence Marks
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2020/10/15
Re: [Wien] .machines for several nodes
Laurence Marks
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2020/10/15
Re: [Wien] TETRA for 2D system
fatima DFT
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2020/10/15
Re: [Wien] .machines for several nodes
Laurence Marks
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2020/10/15
Re: [Wien] .machines for several nodes
Christian Søndergaard Pedersen
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2020/10/15
Re: [Wien] .machines for several nodes
Peter Blaha
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2020/10/14
Re: [Wien] TETRA for 2D system
Tran, Fabien
-
2020/10/14
Re: [Wien] TETRA for 2D system
fatima DFT
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2020/10/14
Re: [Wien] TETRA for 2D system
Tran, Fabien
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2020/10/14
Re: [Wien] TETRA for 2D system
fatima DFT
-
2020/10/14
Re: [Wien] TETRA for 2D system
fatima DFT
-
2020/10/14
Re: [Wien] TETRA for 2D system
Tran, Fabien
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2020/10/14
Re: [Wien] TETRA for 2D system
fatima DFT
-
2020/10/14
Re: [Wien] TETRA for 2D system
Laurence Marks
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2020/10/14
Re: [Wien] TETRA for 2D system
Peter Blaha
-
2020/10/14
Re: [Wien] TETRA for 2D system
fatima DFT
-
2020/10/14
Re: [Wien] TETRA for 2D system
Peter Blaha
-
2020/10/14
[Wien] TETRA for 2D system
fatima DFT
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2020/10/13
Re: [Wien] AFM structure for double perovskite oxide
Gavin Abo
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2020/10/13
[Wien] AFM structure for double perovskite oxide
BUSHRA SABIR
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2020/10/12
Re: [Wien] .machines for several nodes
Peter Blaha
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2020/10/12
Re: [Wien] .machines for several nodes
Christian Søndergaard Pedersen
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2020/10/12
Re: [Wien] .machines for several nodes
Laurence Marks
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2020/10/12
[Wien] Fwd: Postdoc ad mailing list
Peter Blaha
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2020/10/12
Re: [Wien] .machines for several nodes
Christian Søndergaard Pedersen