April 2020 Archives by thread

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Starting: Wed Apr 1 16:54:12 CEST 2020
Ending: Thu Apr 30 11:04:18 CEST 2020
Messages: 154

• [Wien] fold2Bolch - gfortran   Oleg Rubel
  • [Wien] fold2Bolch - gfortran   Catalina Coll
    • [Wien] fold2Bolch - gfortran   Peter Blaha
• [Wien] 3R crystal structure WS2 SCF problem   Luigi Maduro - TNW
  • [Wien] 3R crystal structure WS2 SCF problem   Tran, Fabien
  • [Wien] 3R crystal structure WS2 SCF problem   Peter Blaha
  • [Wien] 3R crystal structure WS2 SCF problem   Gavin Abo
• [Wien] bugfix - large number of bands in wien2wannier   Jindrich Kolorenc
  • [Wien] bugfix - large number of bands in wien2wannier   Peter Blaha
• [Wien] phonon calculation   Mesut KESEK
  • [Wien] phonon calculation   Peter Blaha
  • [Wien] phonon calculation   Gavin Abo
• [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   Gavin Abo
    • [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   Gavin Abo
      • [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   Gavin Abo
      • [Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg   Peter Blaha
      • [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   Gavin Abo
      • [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   Gavin Abo
• [Wien] Treating 4f states as core   Ali Baghizhadeh
  • [Wien] Treating 4f states as core   Peter Blaha
    • [Wien] Treating 4f states as core   Ali Baghizhadeh
      • [Wien] Treating 4f states as core   Peter Blaha
      • [Wien] Treating 4f states as core   Ali Baghizhadeh
      • [Wien] Treating 4f states as core   Laurence Marks
      • [Wien] Treating 4f states as core   Ali Baghizhadeh
      • [Wien] Treating 4f states as core   Laurence Marks
      • [Wien] Treating 4f states as core   Ali Baghizhadeh
      • [Wien] Treating 4f states as core   Gavin Abo
      • [Wien] Treating 4f states as core   Ali Baghizhadeh
• [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   Peter Blaha
    • [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   Peter Blaha
• [Wien] LDA vs GGA   Amit Chauhan ph17d008
  • [Wien] LDA vs GGA   Xavier Rocquefelte
    • [Wien] LDA vs GGA   Wasim Raja Mondal
      • [Wien] LDA vs GGA   Xavier Rocquefelte
      • [Wien] LDA vs GGA   Xavier Rocquefelte
      • [Wien] LDA vs GGA   Amit Chauhan ph17d008
      • [Wien] LDA vs GGA   Xavier Rocquefelte
      • [Wien] LDA vs GGA   Amit Chauhan ph17d008
• [Wien] A suggestion about the hybrid functional   Abderrahmane Reggad
  • [Wien] A suggestion about the hybrid functional   Tran, Fabien
    • [Wien] A suggestion about the hybrid functional   Abderrahmane Reggad
      • [Wien] A suggestion about the hybrid functional   Tran, Fabien
      • [Wien] A suggestion about the hybrid functional   Abderrahmane Reggad
      • [Wien] A suggestion about the hybrid functional   Peter Blaha
      • [Wien] A suggestion about the hybrid functional   Abderrahmane Reggad
      • [Wien] A suggestion about the hybrid functional   Tran, Fabien
      • [Wien] A suggestion about the hybrid functional   Abderrahmane Reggad
• [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   Gavin Abo
  • [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   Peter Blaha
  • [Wien] GGA+U : error reading case.dmatup   Luc Fruchter
    • [Wien] GGA+U : error reading case.dmatup   Luc Fruchter
• [Wien] Wien Installation   晨晨
  • [Wien] Wien Installation   Peter Blaha
    • [Wien] Re： Wien Installation   晨晨
      • [Wien] Re： Wien Installation   Peter Blaha
      • [Wien] Re： Re： Wien Installation   晨晨
      • [Wien] Re： Re： Wien Installation   Peter Blaha
• [Wien] Lapw.2 error   Johnathon Street
  • [Wien] Lapw.2 error   Laurence Marks
    • [Wien] Lapw.2 error   Gavin Abo
      • [Wien] Lapw.2 error   Pavel Ondračka
      • [Wien] Lapw.2 error   Peter Blaha
    • [Wien] Lapw.2 error   Johnathon Street
• [Wien] Spin densities in up and down cases   pachineela rambabu
  • [Wien] Spin densities in up and down cases   Tran, Fabien
    • [Wien] Spin densities in up and down cases   pachineela rambabu
      • [Wien] Spin densities in up and down cases   Tran, Fabien
      • [Wien] Spin densities in up and down cases   pachineela rambabu
      • [Wien] Spin densities in up and down cases   Tran, Fabien
      • [Wien] Spin densities in up and down cases   Gavin Abo
• [Wien] temperature dependent DFT (band, ...) calculations   Dr. K. C. Bhamu
  • [Wien] temperature dependent DFT (band, ...) calculations   Laurence Marks
    • [Wien] temperature dependent DFT (band, ...) calculations   Dr. K. C. Bhamu
  • [Wien] temperature dependent DFT (band, ...) calculations   Peter Blaha
    • [Wien] temperature dependent DFT (band, ...) calculations   Dr. K. C. Bhamu
    • [Wien] temperature dependent DFT (band, ...) calculations   Sam Trickey
      • [Wien] temperature dependent DFT (band, ...) calculations   GM RAI
• [Wien] "vresp: Undefined variable" with runsp_c_lapw   Luc Fruchter
  • [Wien] "vresp: Undefined variable" with runsp_c_lapw   Tran, Fabien
• [Wien] How to calculate the integrated DOS   Abderrahmane Reggad
  • [Wien] How to calculate the integrated DOS   Peter Blaha
    • [Wien] How to calculate the integrated DOS   Abderrahmane Reggad
• [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"   Tran, Fabien
    • [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"   Pavel Ondračka
    • [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"   Tran, Fabien
      • [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"   Tran, Fabien
• [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Luc Fruchter
  • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Tran, Fabien
  • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Luc Fruchter
    • [Wien] [EXTERNAL] case.in1c missing for a centrosymmetric case doing U+SO   Zhu, Jianxin
      • [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   Fecher, Gerhard
  • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Luc Fruchter
    • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Tran, Fabien
    • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Peter Blaha
  • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Luc Fruchter
    • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Laurence Marks
      • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Gavin Abo
  • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Luc Fruchter
    • [Wien] case.in1c missing for a centrosymmetric case doing U+SO   Peter Blaha
• [Wien] How to determine the exchange splitting in metals ?   Abderrahmane Reggad
  • [Wien] How to determine the exchange splitting in metals ?   Peter Blaha
    • [Wien] How to determine the exchange splitting in metals ?   Abderrahmane Reggad
      • [Wien] How to determine the exchange splitting in metals ?   Fecher, Gerhard
      • [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 ?   Fecher, Gerhard
      • [Wien] How to determine the exchange splitting in metals ?   Abderrahmane Reggad
      • [Wien] How to determine the exchange splitting in metals ?   Fecher, Gerhard
• [Wien] Lapw1 mpi run problem ( gfortran+openmpi)   Deyerling, André
• [Wien] error in mixer   Mohad Abbasnejad
  • [Wien] error in mixer   Laurence Marks
  • [Wien] error in mixer   Laurence Marks
    • [Wien] error in mixer   Mohad Abbasnejad
      • [Wien] error in mixer   Laurence Marks
      • [Wien] error in mixer   Mohad Abbasnejad
      • [Wien] error in mixer   Pavel Ondračka
      • [Wien] error in mixer   Mohad Abbasnejad
      • [Wien] error in mixer   Gavin Abo
      • [Wien] error in mixer   Peter Blaha
• [Wien] Questions about difference electron density map   Ding Peng
  • [Wien] Questions about difference electron density map   Peter Blaha
    • [Wien] Questions about difference electron density map   Ding Peng
• [Wien] description of the band plot   Fan
  • [Wien] description of the band plot   Peter Blaha
    • [Wien] description of the band plot   Fan
• [Wien] Missuse of WIEN2k   Peter Blaha
• [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   Tran, Fabien
    • [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   Tran, Fabien
  • [Wien] seek assistant for solving a problem in optical calculation for black phosphorus   Peter Blaha

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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