April 2020 Archives by author
Starting: Wed Apr 1 16:54:12 CEST 2020
Ending: Thu Apr 30 11:04:18 CEST 2020
Messages: 154
- [Wien] error in mixer
Mohad Abbasnejad
- [Wien] error in mixer
Mohad Abbasnejad
- [Wien] error in mixer
Mohad Abbasnejad
- [Wien] error in mixer
Mohad Abbasnejad
- [Wien] 3R crystal structure WS2 SCF problem
Gavin Abo
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Gavin Abo
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Gavin Abo
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Gavin Abo
- [Wien] phonon calculation
Gavin Abo
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Gavin Abo
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Gavin Abo
- [Wien] Treating 4f states as core
Gavin Abo
- [Wien] init_orb_lapw -orb does not take atom parameters from command line
Gavin Abo
- [Wien] Lapw.2 error
Gavin Abo
- [Wien] Spin densities in up and down cases
Gavin Abo
- [Wien] error in mixer
Gavin Abo
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Gavin Abo
- [Wien] Treating 4f states as core
Ali Baghizhadeh
- [Wien] Treating 4f states as core
Ali Baghizhadeh
- [Wien] Treating 4f states as core
Ali Baghizhadeh
- [Wien] Treating 4f states as core
Ali Baghizhadeh
- [Wien] Treating 4f states as core
Ali Baghizhadeh
- [Wien] Treating 4f states as core
Ali Baghizhadeh
- [Wien] temperature dependent DFT (band, ...) calculations
Dr. K. C. Bhamu
- [Wien] temperature dependent DFT (band, ...) calculations
Dr. K. C. Bhamu
- [Wien] temperature dependent DFT (band, ...) calculations
Dr. K. C. Bhamu
- [Wien] 3R crystal structure WS2 SCF problem
Peter Blaha
- [Wien] fold2Bolch - gfortran
Peter Blaha
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Peter Blaha
- [Wien] phonon calculation
Peter Blaha
- [Wien] bugfix - large number of bands in wien2wannier
Peter Blaha
- [Wien] Treating 4f states as core
Peter Blaha
- [Wien] Treating 4f states as core
Peter Blaha
- [Wien] how to define new z and x axis in case.qtl file by visualizing structure
Peter Blaha
- [Wien] how to define new z and x axis in case.qtl file by visualizing structure
Peter Blaha
- [Wien] A suggestion about the hybrid functional
Peter Blaha
- [Wien] GGA+U : error reading case.dmatup
Peter Blaha
- [Wien] Wien Installation
Peter Blaha
- [Wien] Re: Wien Installation
Peter Blaha
- [Wien] Re: Re: Wien Installation
Peter Blaha
- [Wien] temperature dependent DFT (band, ...) calculations
Peter Blaha
- [Wien] Lapw.2 error
Peter Blaha
- [Wien] How to calculate the integrated DOS
Peter Blaha
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Peter Blaha
- [Wien] How to determine the exchange splitting in metals ?
Peter Blaha
- [Wien] error in mixer
Peter Blaha
- [Wien] description of the band plot
Peter Blaha
- [Wien] Questions about difference electron density map
Peter Blaha
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Peter Blaha
- [Wien] Missuse of WIEN2k
Peter Blaha
- [Wien] seek assistant for solving a problem in optical calculation for black phosphorus
Peter Blaha
- [Wien] fold2Bolch - gfortran
Catalina Coll
- [Wien] Lapw1 mpi run problem ( gfortran+openmpi)
Deyerling, André
- [Wien] description of the band plot
Fan
- [Wien] description of the band plot
Fan
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Fecher, Gerhard
- [Wien] How to determine the exchange splitting in metals ?
Fecher, Gerhard
- [Wien] How to determine the exchange splitting in metals ?
Fecher, Gerhard
- [Wien] How to determine the exchange splitting in metals ?
Fecher, Gerhard
- [Wien] init_orb_lapw -orb does not take atom parameters from command line
Luc Fruchter
- [Wien] init_orb_lapw -orb does not take atom parameters from command line
Luc Fruchter
- [Wien] GGA+U : error reading case.dmatup
Luc Fruchter
- [Wien] GGA+U : error reading case.dmatup
Luc Fruchter
- [Wien] GGA+U : error reading case.dmatup
Luc Fruchter
- [Wien] "vresp: Undefined variable" with runsp_c_lapw
Luc Fruchter
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Luc Fruchter
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Luc Fruchter
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Luc Fruchter
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Luc Fruchter
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Luc Fruchter
- [Wien] phonon calculation
Mesut KESEK
- [Wien] bugfix - large number of bands in wien2wannier
Jindrich Kolorenc
- [Wien] Treating 4f states as core
Laurence Marks
- [Wien] Treating 4f states as core
Laurence Marks
- [Wien] Lapw.2 error
Laurence Marks
- [Wien] temperature dependent DFT (band, ...) calculations
Laurence Marks
- [Wien] error in mixer
Laurence Marks
- [Wien] error in mixer
Laurence Marks
- [Wien] error in mixer
Laurence Marks
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Laurence Marks
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg
Wasim Raja Mondal
- [Wien] how to define new z and x axis in case.qtl file by visualizing structure
Wasim Raja Mondal
- [Wien] how to define new z and x axis in case.qtl file by visualizing structure
Wasim Raja Mondal
- [Wien] how to define new z and x axis in case.qtl file by visualizing structure
Wasim Raja Mondal
- [Wien] how to define new z and x axis in case.qtl file by visualizing structure
Wasim Raja Mondal
- [Wien] LDA vs GGA
Wasim Raja Mondal
- [Wien] how to define new z and x axis in case.qtl file by visualizing structure
Wasim Raja Mondal
- [Wien] Lapw.2 error
Pavel Ondračka
- [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"
Pavel Ondračka
- [Wien] error in mixer
Pavel Ondračka
- [Wien] Questions about difference electron density map
Ding Peng
- [Wien] Questions about difference electron density map
Ding Peng
- [Wien] temperature dependent DFT (band, ...) calculations
GM RAI
- [Wien] A suggestion about the hybrid functional
Abderrahmane Reggad
- [Wien] A suggestion about the hybrid functional
Abderrahmane Reggad
- [Wien] A suggestion about the hybrid functional
Abderrahmane Reggad
- [Wien] A suggestion about the hybrid functional
Abderrahmane Reggad
- [Wien] A suggestion about the hybrid functional
Abderrahmane Reggad
- [Wien] How to calculate the integrated DOS
Abderrahmane Reggad
- [Wien] How to calculate the integrated DOS
Abderrahmane Reggad
- [Wien] How to determine the exchange splitting in metals ?
Abderrahmane Reggad
- [Wien] How to determine the exchange splitting in metals ?
Abderrahmane Reggad
- [Wien] How to determine the exchange splitting in metals ?
Abderrahmane Reggad
- [Wien] How to determine the exchange splitting in metals ?
Abderrahmane Reggad
- [Wien] How to determine the exchange splitting in metals ?
Abderrahmane Reggad
- [Wien] How to determine the exchange splitting in metals ?
Abderrahmane Reggad
- [Wien] LDA vs GGA
Xavier Rocquefelte
- [Wien] LDA vs GGA
Xavier Rocquefelte
- [Wien] LDA vs GGA
Xavier Rocquefelte
- [Wien] LDA vs GGA
Xavier Rocquefelte
- [Wien] fold2Bolch - gfortran
Oleg Rubel
- [Wien] Lapw.2 error
Johnathon Street
- [Wien] Lapw.2 error
Johnathon Street
- [Wien] 3R crystal structure WS2 SCF problem
Luigi Maduro - TNW
- [Wien] 3R crystal structure WS2 SCF problem
Tran, Fabien
- [Wien] A suggestion about the hybrid functional
Tran, Fabien
- [Wien] A suggestion about the hybrid functional
Tran, Fabien
- [Wien] A suggestion about the hybrid functional
Tran, Fabien
- [Wien] Spin densities in up and down cases
Tran, Fabien
- [Wien] Spin densities in up and down cases
Tran, Fabien
- [Wien] Spin densities in up and down cases
Tran, Fabien
- [Wien] "vresp: Undefined variable" with runsp_c_lapw
Tran, Fabien
- [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"
Tran, Fabien
- [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"
Tran, Fabien
- [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"
Tran, Fabien
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Tran, Fabien
- [Wien] [EXTERNAL] case.in1c missing for a centrosymmetric case doing U+SO
Tran, Fabien
- [Wien] case.in1c missing for a centrosymmetric case doing U+SO
Tran, Fabien
- [Wien] seek assistant for solving a problem in optical calculation for black phosphorus
Tran, Fabien
- [Wien] seek assistant for solving a problem in optical calculation for black phosphorus
Tran, Fabien
- [Wien] temperature dependent DFT (band, ...) calculations
Sam Trickey
- [Wien] seek assistant for solving a problem in optical calculation for black phosphorus
Hongwei Wang
- [Wien] seek assistant for solving a problem in optical calculation for black phosphorus
Hongwei Wang
- [Wien] [EXTERNAL] case.in1c missing for a centrosymmetric case doing U+SO
Zhu, Jianxin
- [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"
shamik chakrabarti
- [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"
shamik chakrabarti
- [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"
shamik chakrabarti
- [Wien] LDA vs GGA
Amit Chauhan ph17d008
- [Wien] LDA vs GGA
Amit Chauhan ph17d008
- [Wien] LDA vs GGA
Amit Chauhan ph17d008
- [Wien] Spin densities in up and down cases
pachineela rambabu
- [Wien] Spin densities in up and down cases
pachineela rambabu
- [Wien] Spin densities in up and down cases
pachineela rambabu
- [Wien] Wien Installation
晨晨
- [Wien] Re: Wien Installation
晨晨
- [Wien] Re: Re: Wien Installation
晨晨
Last message date:
Thu Apr 30 11:04:18 CEST 2020
Archived on: Thu Apr 30 11:04:20 CEST 2020
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