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• 2025/01/24 Re: [Wien] Problem with parallel jobs of comlex structures (supercells) on hpc Laurence Marks
• 2025/01/24 Re: [Wien] Problem with parallel jobs of comlex structures (supercells) on hpc Peter Blaha
• 2025/01/24 Re: [Wien] Problem with parallel jobs of comlex structures (supercells) on hpc Gavin Abo
• 2025/01/24 Re: [Wien] Problem with parallel jobs of comlex structures (supercells) on hpc Laurence Marks
• 2025/01/24 [Wien] Problem with parallel jobs of comlex structures (supercells) on hpc Sergeev Gregory
• 2025/01/17 [Wien] init_w2w errors Hamza BFA
• 2025/01/16 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
• 2025/01/15 Re: [Wien] Parallel running Laurence Marks
• 2025/01/15 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
• 2025/01/15 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Peter Blaha
• 2025/01/14 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
• 2025/01/14 Re: [Wien] Parallel running Gavin Abo
• 2025/01/14 Re: [Wien] Parallel running delamora
• 2025/01/14 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2025/01/14 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
• 2025/01/14 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
• 2025/01/14 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
• 2025/01/14 Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f) Laurence Marks
• 2025/01/14 [Wien] rewind case.boyd1 error (mixer, qmix9.f) Sergeev Gregory
• 2025/01/13 Re: [Wien] Parallel running Laurence Marks
• 2025/01/13 [Wien] Parallel running delamora
• 2025/01/09 Re: [Wien] error during volume optimisation Peter Blaha
• 2025/01/09 [Wien] error during volume optimisation Neetu Malik
• 2025/01/05 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2025/01/05 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2025/01/05 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
• 2025/01/05 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2025/01/05 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2025/01/05 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2025/01/05 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
• 2025/01/04 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2025/01/04 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2025/01/02 [Wien] ifx OMP Problem in lapw0 caused segmentation fault during runtime Fecher, Gerhard
• 2024/12/31 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
• 2024/12/31 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/12/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
• 2024/12/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
• 2024/12/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
• 2024/12/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/12/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Fecher, Gerhard
• 2024/12/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/12/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/12/27 Re: [Wien] Error in Installation of Wien2k Gavin Abo
• 2024/12/27 Re: [Wien] Error in Installation of Wien2k Peter Blaha
• 2024/12/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/12/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
• 2024/12/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
• 2024/12/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/12/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
• 2024/12/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
• 2024/12/27 Re: [Wien] Swapping atomic positions in case.struct Peter Blaha
• 2024/12/26 Re: [Wien] Error in Installation of Wien2k Gavin Abo
• 2024/12/26 Re: [Wien] Error in Installation of Wien2k Neetu Malik
• 2024/12/26 Re: [Wien] Swapping atomic positions in case.struct pluto via Wien
• 2024/12/26 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/12/26 [Wien] Swapping atomic positions in case.struct pluto via Wien
• 2024/12/22 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Victor Zenou
• 2024/12/21 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Gavin Abo
• 2024/12/10 Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Tomas Kana
• 2024/12/10 Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Peter Blaha
• 2024/12/10 Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Tomas Kana
• 2024/12/10 Re: [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Peter Blaha
• 2024/12/10 [Wien] question about mixing scf calculations with different NUME in param.inc at compilation Tomas Kana
• 2024/12/09 Re: [Wien] manual structure relaxation Mikhail Nestoklon
• 2024/12/02 Re: [Wien] lapwdm not working (anymore)? Peter Blaha
• 2024/12/01 Re: [Wien] lapwdm not working (anymore)? pluto via Wien
• 2024/11/30 Re: [Wien] manual structure relaxation Peter Blaha
• 2024/11/30 [Wien] manual structure relaxation Nestoklon Mikhail
• 2024/11/26 Re: [Wien] lapwdm not working (anymore)? Stefaan Cottenier via Wien
• 2024/11/26 Re: [Wien] lapwdm not working (anymore)? Peter Blaha
• 2024/11/26 Re: [Wien] lapwdm not working (anymore)? Peter Blaha
• 2024/11/26 [Wien] lapwdm not working (anymore)? Stefaan Cottenier via Wien
• 2024/11/25 Re: [Wien] XCrySDen Gavin Abo
• 2024/11/25 Re: [Wien] XCrySDen delamora
• 2024/11/25 Re: [Wien] XCrySDen delamora
• 2024/11/23 Re: [Wien] XCrySDen Gavin Abo
• 2024/11/23 Re: [Wien] XCrySDen Peter Blaha
• 2024/11/22 Re: [Wien] XCrySDen delamora
• 2024/11/22 Re: [Wien] XCrySDen delamora
• 2024/11/22 Re: [Wien] NEC01 charge leakage too large Peter Blaha
• 2024/11/20 Re: [Wien] NEC01 charge leakage too large Peter Blaha
• 2024/11/20 Re: [Wien] NEC01 charge leakage too large Long Zhang via Wien
• 2024/11/20 Re: [Wien] XCrySDen Sharat Chandra via Wien
• 2024/11/20 Re: [Wien] XCrySDen Gavin Abo
• 2024/11/20 [Wien] XCrySDen delamora
• 2024/11/15 Re: [Wien] speedup with mpi Peter Blaha
• 2024/11/15 Re: [Wien] speedup with mpi pluto via Wien
• 2024/11/15 Re: [Wien] speedup with mpi Peter Blaha
• 2024/11/14 [Wien] speedup with mpi pluto via Wien
• 2024/11/12 Re: [Wien] NEC01 charge leakage too large Peter Blaha
• 2024/11/12 Re: [Wien] NEC01 charge leakage too large Fecher, Gerhard
• 2024/11/12 Re: [Wien] NEC01 charge leakage too large Rubel, Oleg
• 2024/11/11 [Wien] NEC01 charge leakage too large Long Zhang via Wien
• 2024/11/11 Re: [Wien] beginner's init_lapw error Long Zhang via Wien
• 2024/11/11 Re: [Wien] beginner's init_lapw error Peter Blaha
• 2024/11/06 Re: [Wien] Query regarding the error in the atomic positions optimization with fixed experimental lattice parameters Safikul Islam
• 2024/11/06 [Wien] Query regarding the error in the atomic positions optimization with fixed experimental lattice parameters Safikul Islam
• 2024/11/06 Re: [Wien] Query regarding the error in the atomic positions optimization with fixed experimental lattice parameters Peter Blaha
• 2024/10/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/30 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
• 2024/10/28 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/10/28 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/28 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Laurence Marks
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Peter Blaha
• 2024/10/27 Re: [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/27 Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
• 2024/10/26 Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
• 2024/10/26 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
• 2024/10/26 [Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories Michael Fechtelkord via Wien
• 2024/10/25 Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
• 2024/10/23 Re: [Wien] Spin polarized issue Peter Blaha
• 2024/10/23 [Wien] Spin polarized issue Wahid Kamal
• 2024/10/19 Re: [Wien] spin + SOC slab issue Peter Blaha
• 2024/10/19 Re: [Wien] spin + SOC slab issue pluto via Wien
• 2024/10/19 Re: [Wien] spin + SOC slab issue pluto via Wien
• 2024/10/19 Re: [Wien] spin + SOC slab issue Laurence Marks
• 2024/10/19 Re: [Wien] spin + SOC slab issue pluto via Wien
• 2024/10/18 Re: [Wien] spin + SOC slab issue Peter Blaha
• 2024/10/18 [Wien] spin + SOC slab issue pluto via Wien
• 2024/10/17 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
• 2024/10/16 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
• 2024/10/16 Re: [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
• 2024/10/16 Re: [Wien] Problem with k-parallel in version 24.1? Peter Blaha
• 2024/10/16 Re: [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
• 2024/10/16 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
• 2024/10/16 Re: [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
• 2024/10/16 Re: [Wien] Problem with k-parallel in version 24.1? Peter Blaha
• 2024/10/16 Re: [Wien] Problem with k-parallel in version 24.1? Peter Blaha
• 2024/10/15 [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
• 2024/10/15 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
• 2024/10/15 [Wien] Problem with k-parallel in version 24.1? Yichen Zhang
• 2024/10/15 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
• 2024/10/15 Re: [Wien] how to tell w2web that it is a SOC calculation? Peter Blaha
• 2024/10/15 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Gavin Abo
• 2024/10/15 Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
• 2024/10/15 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
• 2024/10/14 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
• 2024/10/14 Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
• 2024/10/14 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
• 2024/10/14 [Wien] how to tell w2web that it is a SOC calculation? pluto via Wien
• 2024/10/14 Re: [Wien] Differences in band character plotting using two methods under rotated local basis pluto via Wien
• 2024/10/14 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
• 2024/10/14 Re: [Wien] Differences in band character plotting using two methods under rotated local basis Peter Blaha
• 2024/10/13 [Wien] Differences in band character plotting using two methods under rotated local basis Yichen Zhang
• 2024/10/13 Re: [Wien] magnetizatin direction in case.inso vs case.inst pluto via Wien
• 2024/10/13 Re: [Wien] magnetizatin direction in case.inso vs case.inst Peter Blaha
• 2024/10/13 Re: [Wien] magnetizatin direction in case.inso vs case.inst pluto via Wien
• 2024/10/13 Re: [Wien] magnetizatin direction in case.inso vs case.inst Peter Blaha
• 2024/10/12 [Wien] magnetizatin direction in case.inso vs case.inst pluto via Wien
• 2024/09/30 Re: [Wien] Compiling with scalapack Gavin Abo
• 2024/09/29 [Wien] Compiling with scalapack Arthur H. Edwards
• 2024/09/26 Re: [Wien] Hardness delamora
• 2024/09/26 Re: [Wien] Hardness Peter Blaha
• 2024/09/25 [Wien] Hardness delamora
• 2024/09/24 Re: [Wien] Compiling the WIEN2k 24.1 version Gavin Abo
• 2024/09/24 [Wien] Compiling the WIEN2k 24.1 version Muhammad Arifin via Wien
• 2024/09/17 Re: [Wien] Problem compiling wien2k using oneAPI 2024 ifort Peter Blaha
• 2024/09/17 [Wien] Problem compiling wien2k using oneAPI 2024 ifort negev HPC
• 2024/09/17 [Wien] This is regarding the calculation of z2 topological invariant using wcc.py/berrypi module Burhan Ahmed
• 2024/09/15 Re: [Wien] compilation of libxc Gavin Abo
• 2024/09/15 [Wien] compilation of libxc Lyudmila Dobysheva via Wien
• 2024/09/11 [Wien] wien2k Peter Blaha
• 2024/09/05 Re: [Wien] SCAN Peter Blaha
• 2024/09/05 [Wien] SCAN Lyudmila Dobysheva via Wien
• 2024/09/02 Re: [Wien] XCrySDen 1.6 Gavin Abo
• 2024/09/02 [Wien] XCrySDen 1.6 delamora
• 2024/09/02 Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 Gavin Abo
• 2024/09/02 Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 delamora
• 2024/09/02 Re: [Wien] Order of equivalent positions in case.struct Laurence Marks
• 2024/09/02 Re: [Wien] Order of equivalent positions in case.struct pluto via Wien
• 2024/09/01 Re: [Wien] Order of equivalent positions in case.struct Fecher, Gerhard
• 2024/08/31 Re: [Wien] Order of equivalent positions in case.struct Peter Blaha
• 2024/08/29 [Wien] Order of equivalent positions in case.struct pluto via Wien
• 2024/08/25 Re: [Wien] ELPA Peter Blaha
• 2024/08/25 Re: [Wien] ELPA Laurence Marks
• 2024/08/25 Re: [Wien] ELPA Arthur H. Edwards
• 2024/08/25 Re: [Wien] ELPA Peter Blaha
• 2024/08/25 Re: [Wien] ELPA Laurence Marks
• 2024/08/24 [Wien] ELPA Arthur H. Edwards
• 2024/08/15 Re: [Wien] elastic canstant morteza jamal via Wien
• 2024/08/14 Re: [Wien] Fermi contact hyperfine field contribution in WIEN2k Peter Blaha
• 2024/08/14 [Wien] Fermi contact hyperfine field contribution in WIEN2k Wanderson Lobato Ferreira via Wien
• 2024/08/13 Re: [Wien] Query regarding elastic constants of SnSe2 morteza jamal via Wien
• 2024/08/13 Re: [Wien] Query regarding case.mommat2 file Peter Blaha
• 2024/08/12 Re: [Wien] Query regarding elastic constants of SnSe2 Pranjal Nandi
• 2024/08/12 Re: [Wien] Query regarding elastic constants of SnSe2 Pranjal Nandi
• 2024/08/12 Re: [Wien] Query regarding elastic constants of SnSe2 Fecher, Gerhard
• 2024/08/10 Re: [Wien] Query regarding elastic constants of SnSe2 morteza jamal via Wien
• 2024/08/10 [Wien] Query regarding case.mommat2 file VIVEK PANDEY
• 2024/08/10 Re: [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
• 2024/08/10 Re: [Wien] Query regarding elastic constants of SnSe2 shamik chakrabarti
• 2024/08/10 Re: [Wien] Query regarding elastic constants of SnSe2 Fecher, Gerhard

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