August 2023 Archives by thread

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Starting: Thu Aug 3 10:53:35 CEST 2023
Ending: Tue Aug 29 12:23:49 CEST 2023
Messages: 67

• [Wien] new tool for Transport with WIEN2k: LinReTraCe   Peter Blaha
  • [Wien] Question about units of density in density plots   Fecher, Gerhard
    • [Wien] Question about units of density in density plots   Peter Blaha
      • [Wien] Question about units of density in density plots   Fecher, Gerhard
• [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2   shamik chakrabarti
  • [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2   fabien.tran at vasp.at
    • [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2   shamik chakrabarti
• [Wien] hf error -monolayer   Brik Hamida
  • [Wien] hf error -monolayer   Peter Blaha
  • [Wien] hf error -monolayer   Brik Hamida
    • [Wien] hf error -monolayer   Peter Blaha
• [Wien] Clean_lapw before increasing number of k points in HSE06 calculation   shamik chakrabarti
  • [Wien] Clean_lapw before increasing number of k points in HSE06 calculation   fabien.tran at vasp.at
    • [Wien] Clean_lapw before increasing number of k points in HSE06 calculation   shamik chakrabarti
• [Wien] error in doing bandstructure cal   Neetu Malik
  • [Wien] error in doing bandstructure cal   Peter Blaha
    • [Wien] error in doing bandstructure cal   Neetu Malik
• [Wien] XCrySDen   delamora
  • [Wien] XCrySDen   Tone Kokalj
    • [Wien] XCrySDen   delamora
      • [Wien] XCrySDen   delamora
• [Wien] Plotting the radial part of wave function   reyhaneh ebrahimi
  • [Wien] Plotting the radial part of wave function   Peter Blaha
    • [Wien] Plotting the radial part of wave function   reyhaneh ebrahimi
      • [Wien] Plotting the radial part of wave function   Peter Blaha
      • [Wien] Plotting the radial part of wave function   reyhaneh ebrahimi
• [Wien] SOC value \zeta   Samolyuk, German D.
  • [Wien] SOC value \zeta   Gavin Abo
    • [Wien] SOC value \zeta   Peter Blaha
  • [Wien] SOC value \zeta   Fecher, Gerhard
    • [Wien] SOC value \zeta   Samolyuk, German D.
      • [Wien] SOC value \zeta   Fecher, Gerhard
      • [Wien] SOC value \zeta   Samolyuk, German D.
      • [Wien] SOC value \zeta   Peter Blaha
• [Wien] calculation with lmbj potential   Burhan Ahmed
• [Wien] Volume optimization and Eloss function.   Pranjal Nandi
  • [Wien] Volume optimization and Eloss function.   Gavin Abo
    • [Wien] Volume optimization and Eloss function.   Pranjal Nandi
      • [Wien] Volume optimization and Eloss function.   Gavin Abo
• [Wien] Speeding up calculations in parallel mose   Victor Zenou
  • [Wien] Speeding up calculations in parallel mose   Pavel Ondračka
  • [Wien] Speeding up calculations in parallel mose   Laurence Marks
    • [Wien] Speeding up calculations in parallel mose   Victor Zenou
      • [Wien] Speeding up calculations in parallel mose   Gavin Abo
      • [Wien] Speeding up calculations in parallel mose   Peter Blaha
      • [Wien] Speeding up calculations in parallel mose   Victor Zenou
      • [Wien] Speeding up calculations in parallel mose   Victor Zenou
• [Wien] slab calculation with lmbj potential   Burhan Ahmed
• [Wien] How to get "klist file" for orthorhombic P structure   Chang, Hong Young
  • [Wien] How to get "klist file" for orthorhombic P structure   Gavin Abo
• [Wien] calLa_Pre WIEN2k   morteza jamal
• [Wien] Optimized lattice constants using pbe+U   Park, Ken
  • [Wien] Optimized lattice constants using pbe+U   Peter Blaha
    • [Wien] Optimized lattice constants using pbe+U   Park, Ken
    • [Wien] Optimized lattice constants using pbe+U   fabien.tran at vasp.at
      • [Wien] Optimized lattice constants using pbe+U   Park, Ken
• [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   shamik chakrabarti
  • [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   Laurence Marks
  • [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   Peter Blaha
    • [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   shamik chakrabarti
      • [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   shamik chakrabarti
      • [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   shamik chakrabarti
      • [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   Peter Blaha
      • [Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?   shamik chakrabarti
• [Wien] Error while running SCF   Abhishek Bhattacharjee
  • [Wien] Error while running SCF   Peter Blaha
• [Wien] [WIEN2k BUG] lapw2_mpi crash with mbj, meta-GGAs (fix from mail-list hangs calculations)   Peter Blaha

Last message date: Tue Aug 29 12:23:49 CEST 2023
Archived on: Tue Aug 29 12:24:10 CEST 2023

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