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• [Wien] init_w2w errors Hamza BFA
• [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Peter Blaha
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
  • Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
• [Wien] error during volume optimisation Neetu Malik
  • Re: [Wien] error during volume optimisation Peter Blaha
• Re: [Wien] Error in Installation of Wien2k Neetu Malik
  • Re: [Wien] Error in Installation of Wien2k Gavin Abo
  • Re: [Wien] Error in Installation of Wien2k Peter Blaha
  • Re: [Wien] Error in Installation of Wien2k Gavin Abo
• [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Tomas Kana
  • Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Peter Blaha
  • Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Tomas Kana
  • Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Peter Blaha
  • Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Tomas Kana
• [Wien] manual structure relaxation Nestoklon Mikhail
  • Re: [Wien] manual structure relaxation Peter Blaha
  • Re: [Wien] manual structure relaxation Mikhail Nestoklon
• [Wien] lapwdm not working (anymore)? Stefaan Cottenier via Wien
  • Re: [Wien] lapwdm not working (anymore)? Peter Blaha
  • Re: [Wien] lapwdm not working (anymore)? Peter Blaha
  • Re: [Wien] lapwdm not working (anymore)? Stefaan Cottenier via Wien
  • Re: [Wien] lapwdm not working (anymore)? pluto via Wien
  • Re: [Wien] lapwdm not working (anymore)? Peter Blaha
• [Wien] NEC01 charge leakage too large Long Zhang via Wien
  • Re: [Wien] NEC01 charge leakage too large Rubel, Oleg
  • Re: [Wien] NEC01 charge leakage too large Fecher, Gerhard
  • Re: [Wien] NEC01 charge leakage too large Peter Blaha
  • [Wien] speedup with mpi pluto via Wien
  • Re: [Wien] speedup with mpi Peter Blaha
  • Re: [Wien] speedup with mpi pluto via Wien
  • Re: [Wien] speedup with mpi Peter Blaha
  • Re: [Wien] NEC01 charge leakage too large Long Zhang via Wien
  • Re: [Wien] NEC01 charge leakage too large Peter Blaha
  • Re: [Wien] NEC01 charge leakage too large Peter Blaha
• Re: [Wien] beginner's init_lapw error Peter Blaha
  • Re: [Wien] beginner's init_lapw error Long Zhang via Wien
• [Wien] Query regarding the error in the atomic positions optimization with fixed experimental lattice parameters Safikul Islam
  • Re: [Wien] Query regarding the error in the atomic positions optimization with fixed experimental lattice parameters Peter Blaha
  • Re: [Wien] Query regarding the error in the atomic positions optimization with fixed experimental lattice parameters Safikul Islam
• [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Victor Zenou
  • [Wien] Swapping atomic positions in case.struct pluto via Wien
  • Re: [Wien] Swapping atomic positions in case.struct pluto via Wien
  • Re: [Wien] Swapping atomic positions in case.struct Peter Blaha
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
  • [Wien] ifx OMP Problem in lapw0 caused segmentation fault during runtime Fecher, Gerhard
  • Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
• [Wien] Spin polarized issue Wahid Kamal
  • Re: [Wien] Spin polarized issue Peter Blaha
• [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
  • Re: [Wien] Problem with k-parallel in version 24.1? Peter Blaha
  • [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
  • Re: [Wien] Problem with k-parallel in version 24.1? Peter Blaha
  • Re: [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
  • Re: [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
  • Re: [Wien] Problem with k-parallel in version 24.1? Peter Blaha
  • Re: [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
• [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
  • [Wien] how to tell w2web that it is a SOC calculation? pluto via Wien
  • Re: [Wien] how to tell w2web that it is a SOC calculation? Peter Blaha
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Gavin Abo
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
  • Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
  • [Wien] spin + SOC slab issue pluto via Wien
  • Re: [Wien] spin + SOC slab issue Peter Blaha
  • Re: [Wien] spin + SOC slab issue pluto via Wien
  • Re: [Wien] spin + SOC slab issue Laurence Marks
  • Re: [Wien] spin + SOC slab issue pluto via Wien
  • Re: [Wien] spin + SOC slab issue pluto via Wien
  • Re: [Wien] spin + SOC slab issue Peter Blaha
• [Wien] Compiling with scalapack Arthur H. Edwards
  • Re: [Wien] Compiling with scalapack Gavin Abo
• [Wien] Compiling the WIEN2k 24.1 version Muhammad Arifin via Wien
  • Re: [Wien] Compiling the WIEN2k 24.1 version Gavin Abo
• [Wien] Problem compiling wien2k using oneAPI 2024 ifort negev HPC
  • Re: [Wien] Problem compiling wien2k using oneAPI 2024 ifort Peter Blaha
• [Wien] This is regarding the calculation of z2 topological invariant using wcc.py/berrypi module Burhan Ahmed
• [Wien] compilation of libxc Lyudmila Dobysheva via Wien
  • Re: [Wien] compilation of libxc Gavin Abo
• [Wien] wien2k Peter Blaha
• [Wien] SCAN Lyudmila Dobysheva via Wien
  • Re: [Wien] SCAN Peter Blaha
• [Wien] ELPA Arthur H. Edwards
  • Re: [Wien] ELPA Laurence Marks
  • Re: [Wien] ELPA Peter Blaha
  • Re: [Wien] ELPA Arthur H. Edwards
  • Re: [Wien] ELPA Laurence Marks
  • Re: [Wien] ELPA Peter Blaha
  • [Wien] Order of equivalent positions in case.struct pluto via Wien
  • Re: [Wien] Order of equivalent positions in case.struct Peter Blaha
  • Re: [Wien] Order of equivalent positions in case.struct Fecher, Gerhard
  • Re: [Wien] Order of equivalent positions in case.struct pluto via Wien
  • Re: [Wien] Order of equivalent positions in case.struct Laurence Marks
• Re: [Wien] elastic canstant morteza jamal via Wien
• [Wien] Fermi contact hyperfine field contribution in WIEN2k Wanderson Lobato Ferreira via Wien
  • Re: [Wien] Fermi contact hyperfine field contribution in WIEN2k Peter Blaha
• [Wien] Query regarding case.mommat2 file VIVEK PANDEY
  • Re: [Wien] Query regarding case.mommat2 file Peter Blaha
• [Wien] New Version: WIEN2k_24.1 Peter Blaha
• [Wien] Same struct file converges for 3 conditions but not in the 4th condition. FAQ and Email archives are not helping. Pranjal Nandi
  • Re: [Wien] Same struct file converges for 3 conditions but not in the 4th condition. FAQ and Email archives are not helping. Lyudmila Dobysheva via Wien
  • Re: [Wien] Same struct file converges for 3 conditions but not in the 4th condition. FAQ and Email archives are not helping. Peter Blaha
• [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
  • Re: [Wien] Query regarding elastic constants of SnSe2 morteza jamal via Wien
  • Re: [Wien] Query regarding elastic constants of SnSe2 morteza jamal via Wien
  • Re: [Wien] Query regarding elastic constants of SnSe2 Fecher, Gerhard
  • Re: [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
  • Re: [Wien] Query regarding elastic constants of SnSe2 Fecher, Gerhard
  • Re: [Wien] Query regarding elastic constants of SnSe2 morteza jamal via Wien
  • Re: [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
  • Re: [Wien] Query regarding elastic constants of SnSe2 Laurence Marks
  • Re: [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
  • Re: [Wien] Query regarding elastic constants of SnSe2 Fecher, Gerhard
  • Re: [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
  • Re: [Wien] Query regarding elastic constants of SnSe2 Fecher, Gerhard
  • Re: [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
  • Re: [Wien] Query regarding elastic constants of SnSe2 morteza jamal via Wien
  • Re: [Wien] Query regarding elastic constants of SnSe2 Fecher, Gerhard
  • Re: [Wien] Query regarding elastic constants of SnSe2 Pranjal Nandi
  • Re: [Wien] Query regarding elastic constants of SnSe2 Pranjal Nandi
  • Re: [Wien] Query regarding elastic constants of SnSe2 morteza jamal via Wien
• [Wien] GAP is not found in case.scf Burhan Ahmed
  • Re: [Wien] GAP is not found in case.scf Fecher, Gerhard
  • Re: [Wien] GAP is not found in case.scf Burhan Ahmed
  • Re: [Wien] GAP is not found in case.scf Laurence Marks
  • Re: [Wien] GAP is not found in case.scf Burhan Ahmed
  • Re: [Wien] GAP is not found in case.scf Laurence Marks
  • Re: [Wien] GAP is not found in case.scf Burhan Ahmed
• [Wien] intel oneapi 2024.2 ifx Lyudmila Dobysheva via Wien
• [Wien] Requesting help regarding WSHIFT parameter. Guidebook is not helping much. Pranjal Nandi
  • Re: [Wien] Requesting help regarding WSHIFT parameter. Guidebook is not helping much. Pranjal Nandi
  • Re: [Wien] Requesting help regarding WSHIFT parameter. Guidebook is not helping much. Peter Blaha
  • Re: [Wien] Requesting help regarding WSHIFT parameter. Guidebook is not helping much. Pranjal Nandi
• [Wien] Unusual behaviour observed in the momentum matrix elements calculation VIVEK PANDEY
  • [Wien] RKmax in Wien2k NCM Fecher, Gerhard
  • Re: [Wien] RKmax in Wien2k NCM Gavin Abo
• [Wien] IRelast creates incorrect structure file Nestoklon Mikhail
  • Re: [Wien] IRelast creates incorrect structure file morteza jamal via Wien

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