September 2021 Archives by thread

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Starting: Thu Sep 2 13:49:55 CEST 2021
Ending: Thu Sep 30 18:20:18 CEST 2021
Messages: 104

• [Wien] Warning in total energy   Anupriya Nyayban
  • [Wien] Warning in total energy   Laurence Marks
• [Wien] dstart error in wien2k ver21_1   Ashwani Kumar
  • [Wien] dstart error in wien2k ver21_1   Laurence Marks
    • [Wien] dstart error in wien2k ver21_1   Ashwani Kumar
      • [Wien] dstart error in wien2k ver21_1   Laurence Marks
    • [Wien] dstart error in wien2k ver21_1   Ashwani Kumar
• [Wien] Mailing list removal   V. Maxwell
• [Wien] The problem for atomic forces in the supercells of lanthanides compounds   Artem Tarasov
  • [Wien] The problem for atomic forces in the supercells of lanthanides compounds   Laurence Marks
  • [Wien] The problem for atomic forces in the supercells of lanthanides compounds   lyuka17 at mail.ru
  • [Wien] The problem for atomic forces in the supercells of lanthanides compounds   Peter Blaha
  • [Wien] The problem for atomic forces in the supercells of lanthanides compounds   Artem Tarasov
• [Wien] Fwd: Some- QUESTIONS- Replies- about-IRelast-Package   Peter Blaha
• [Wien] Error in x tetra   Peeyush Kumar Kamlesh
  • [Wien] Error in x tetra   Tran, Fabien
  • [Wien] Error in x tetra   Peeyush Kumar Kamlesh
• [Wien] Problem for the bandstructure with PBE+SOC   delamora
  • [Wien] Problem for the bandstructure with PBE+SOC   Fecher, Gerhard
    • [Wien] Problem for the bandstructure with PBE+SOC   delamora
      • [Wien] Problem for the bandstructure with PBE+SOC   Gavin Abo
• [Wien] running wien2k using aprun command at Cray XC40   venky ch
  • [Wien] running wien2k using aprun command at Cray XC40   Laurence Marks
    • [Wien] running wien2k using aprun command at Cray XC40   Laurence Marks
      • [Wien] running wien2k using aprun command at Cray XC40   venky ch
      • [Wien] running wien2k using aprun command at Cray XC40   Laurence Marks
      • [Wien] running wien2k using aprun command at Cray XC40   venky ch
      • [Wien] running wien2k using aprun command at Cray XC40   Laurence Marks
• [Wien] join_vectorfiles and fold2bloch mismatch   Marcus Ekholm
  • [Wien] join_vectorfiles and fold2bloch mismatch   Rubel, Oleg
    • [Wien] join_vectorfiles and fold2bloch mismatch   Peter Blaha
• [Wien] Confusion regarding supercell calculation   Anupriya Nyayban
  • [Wien] Confusion regarding supercell calculation   Peter Blaha
  • [Wien] Confusion regarding supercell calculation   Anupriya Nyayban
• [Wien] Error while doing AFM calculation   413119008 at nitt.edu
  • [Wien] Error while doing AFM calculation   Laurence Marks
    • [Wien] Error while doing AFM calculation   413119008 at nitt.edu
      • [Wien] Error while doing AFM calculation   Laurence Marks
      • [Wien] Error while doing AFM calculation   413119008 at nitt.edu
      • [Wien] Error while doing AFM calculation   Gavin Abo
      • [Wien] Error while doing AFM calculation   Gavin Abo
      • [Wien] Error while doing AFM calculation   Laurence Marks
      • [Wien] Error while doing AFM calculation   413119008 at nitt.edu
      • [Wien] Error while doing AFM calculation   Laurence Marks
      • [Wien] Error while doing AFM calculation   413119008 at nitt.edu
      • [Wien] Error while doing AFM calculation   Laurence Marks
      • [Wien] Error while doing AFM calculation   413119008 at nitt.edu
      • [Wien] Error while doing AFM calculation   Laurence Marks
  • [Wien] Error while doing AFM calculation   Peter Blaha
  • [Wien] Error while doing AFM calculation   Gavin Abo
• [Wien] mBJ+SOC   Wahid Kamal
  • [Wien] mBJ+SOC   Tran, Fabien
    • [Wien] mBJ+SOC   Wahid Kamal
• [Wien] query for elastic constants   fatima DFT
  • [Wien] query for elastic constants   fatima DFT
    • [Wien] query for elastic constants   Laurence Marks
      • [Wien] query for elastic constants   fatima DFT
      • [Wien] query for elastic constants   Laurence Marks
      • [Wien] query for elastic constants   fatima DFT
      • [Wien] query for elastic constants   Peter Blaha
      • [Wien] query for elastic constants   fatima DFT
      • [Wien] query for elastic constants   fatima DFT
• [Wien] Ghost band error   shamik chakrabarti
  • [Wien] Ghost band error   Gavin Abo
    • [Wien] Ghost band error   shamik chakrabarti
• [Wien] A basic question regarding the band structure   shamik chakrabarti
  • [Wien] A basic question regarding the band structure   Peter Blaha
    • [Wien] A basic question regarding the band structure   shamik chakrabarti
• [Wien] Error in 2nd cycle   shamik chakrabarti
  • [Wien] Error in 2nd cycle   Peter Blaha
    • [Wien] Error in 2nd cycle   shamik chakrabarti
      • [Wien] Error in 2nd cycle   Peter Blaha
      • [Wien] Error in 2nd cycle   shamik chakrabarti
• [Wien] Need help for purchasing hardware   SANDEEP ARORA
  • [Wien] Need help for purchasing hardware   Peter Blaha
  • [Wien] Need help for purchasing hardware   SANDEEP ARORA
    • [Wien] Need help for purchasing hardware   Laurence Marks
      • [Wien] Need help for purchasing hardware   Laurence Marks
    • [Wien] Need help for purchasing hardware   Peter Blaha
• [Wien] Increase points in klist_band   Wahid Kamal
  • [Wien] Increase points in klist_band   Tran, Fabien
• [Wien] modified analyze_phonon file   Hamza Bouafia
  • [Wien] modified analyze_phonon file   Peter Blaha
• [Wien] Fwd: Severe bug in SRC_aim   Peter Blaha
• [Wien] Query about HSE06   shamik chakrabarti
  • [Wien] Query about HSE06   Tran, Fabien
    • [Wien] Query about HSE06   shamik chakrabarti
      • [Wien] Query about HSE06   Tran, Fabien
      • [Wien] Query about HSE06   Peter Blaha
      • [Wien] Query about HSE06   shamik chakrabarti
      • [Wien] Query about HSE06   Tran, Fabien
      • [Wien] Query about HSE06   shamik chakrabarti
      • [Wien] Query about HSE06   Tran, Fabien
      • [Wien] Query about HSE06   shamik chakrabarti
      • [Wien] Query about HSE06   Tran, Fabien
      • [Wien] Query about HSE06   Peter Blaha
• [Wien] About testing the FSM procedure to fix the convergence problem   Algerian Researcher
  • [Wien] About testing the FSM procedure to fix the convergence problem   Laurence Marks
  • [Wien] About testing the FSM procedure to fix the convergence problem   Algerian Researcher
    • [Wien] About testing the FSM procedure to fix the convergence problem   Laurence Marks
  • [Wien] About testing the FSM procedure to fix the convergence problem   Algerian Researcher
    • [Wien] About testing the FSM procedure to fix the convergence problem   Laurence Marks
• [Wien] Steps to perform volume optimization of orthorhombic structure   AJAY SINGH VERMA
  • [Wien] Steps to perform volume optimization of orthorhombic structure   Peter Blaha

Last message date: Thu Sep 30 18:20:18 CEST 2021
Archived on: Thu Sep 30 18:21:24 CEST 2021

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