wien  

Messages by Date

• 2025/08/01 Re: [Wien] Nonlinear optical properties Mohaddeseh Abbasnejad
• 2025/07/31 [Wien] WIEN2k LAPW1 crashes sometimes during eigenvector calculation for NMR Chemical Shift Michael Fechtelkord
• 2025/07/28 Re: [Wien] Nonlinear optical properties Gavin Abo
• 2025/07/28 [Wien] Nonlinear optical properties Mohaddeseh Abbasnejad
• 2025/07/25 Re: [Wien] DOS with spin-orbit and orb susanta mohanta
• 2025/07/25 Re: [Wien] DOS with spin-orbit and orb Peter Blaha
• 2025/07/25 Re: [Wien] DOS with spin-orbit and orb susanta mohanta
• 2025/07/25 Re: [Wien] DOS with spin-orbit and orb Peter Blaha
• 2025/07/25 [Wien] DOS with spin-orbit and orb susanta mohanta
• 2025/07/21 Re: [Wien] Issue with MBJ Potential Calculation in WIEN2k24.1 (MPI error in lapw2para) Peter Blaha
• 2025/07/16 [Wien] Issue with MBJ Potential Calculation in WIEN2k24.1 (MPI error in lapw2para) Sergeev Gregory
• 2025/07/14 [Wien] Compiling wien2wannier with ifx Gavin Abo
• 2025/07/12 Re: [Wien] LAPW0 -- again Michael Fechtelkord
• 2025/07/12 Re: [Wien] LAPW0 -- again Gavin Abo
• 2025/07/11 Re: [Wien] LAPW0 -- again Laurence Marks
• 2025/07/11 Re: [Wien] LAPW0 -- again Michael Fechtelkord
• 2025/07/11 Re: [Wien] LAPW0 -- again Peter Blaha
• 2025/07/11 Re: [Wien] LAPW0 -- again Michael Fechtelkord
• 2025/07/11 Re: [Wien] LAPW0 -- again Fecher, Gerhard
• 2025/07/10 Re: [Wien] LAPW0 -- again Michael Fechtelkord
• 2025/07/10 Re: [Wien] LAPW0 -- again Peter Blaha
• 2025/07/10 Re: [Wien] LAPW0 -- again Michael Fechtelkord
• 2025/07/10 Re: [Wien] LAPW0 -- again Fecher, Gerhard
• 2025/07/10 Re: [Wien] LAPW0 -- again Michael Fechtelkord
• 2025/07/10 [Wien] LAPW0 -- again Fecher, Gerhard
• 2025/07/09 Re: [Wien] installation error Michael Fechtelkord
• 2025/07/09 Re: [Wien] installation error Michael Fechtelkord
• 2025/07/09 Re: [Wien] installation error Peter Blaha
• 2025/07/09 Re: [Wien] installation error Michael Fechtelkord
• 2025/07/08 Re: [Wien] installation error Laurence Marks
• 2025/07/07 [Wien] AMD AOCC compiler Straus, Daniel B
• 2025/07/07 Re: [Wien] installation error Gavin Abo
• 2025/07/07 Re: [Wien] installation error susanta mohanta
• 2025/07/07 Re: [Wien] installation error Michael Fechtelkord
• 2025/07/07 Re: [Wien] installation error susanta mohanta
• 2025/07/06 Re: [Wien] installation error Gavin Abo
• 2025/07/06 Re: [Wien] installation error susanta mohanta
• 2025/07/06 Re: [Wien] installation error Gavin Abo
• 2025/07/06 [Wien] installation error susanta mohanta
• 2025/06/27 Re: [Wien] Rhombohedral unit cell Peter Blaha
• 2025/06/27 [Wien] Rhombohedral unit cell Lukasz Plucinski
• 2025/06/24 Re: [Wien] OMP conflicts using the recent oneapi version 2025.2 Michael Fechtelkord
• 2025/06/24 [Wien] OMP conflicts using the recent oneapi version 2025.2 Michael Fechtelkord
• 2025/06/24 [Wien] Testing of mixer 11.4 Laurence Marks
• 2025/06/22 Re: [Wien] run init_so_lapw non-interactively Long Zhang via Wien
• 2025/06/19 [Wien] Small bug in mixer WIEN2k_24.1 Peter Blaha
• 2025/06/18 Re: [Wien] run init_so_lapw non-interactively Mikhail Nestoklon
• 2025/06/18 [Wien] run init_so_lapw non-interactively Long Zhang via Wien
• 2025/06/14 Re: [Wien] Compiling error Fecher, Gerhard
• 2025/06/13 Re: [Wien] Compiling error delamora
• 2025/06/12 Re: [Wien] W2WEB problem with sructure in spgrp 166 Peter Blaha
• 2025/06/10 [Wien] W2WEB problem with sructure in spgrp 166 Fecher, Gerhard
• 2025/06/10 [Wien] Another ifx issue (on AMD EPYC) Fecher, Gerhard
• 2025/06/09 Re: [Wien] New findings on the lapw0 seg fault core dump error Laurence Marks
• 2025/06/09 Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
• 2025/06/08 Re: [Wien] New findings on the lapw0 seg fault core dump error Fecher, Gerhard
• 2025/06/08 Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
• 2025/06/08 Re: [Wien] New findings on the lapw0 seg fault core dump error Fecher, Gerhard
• 2025/06/07 Re: [Wien] New findings on the lapw0 seg fault core dump error Peter Blaha
• 2025/06/07 Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
• 2025/06/07 Re: [Wien] New findings on the lapw0 seg fault core dump error Peter Blaha
• 2025/06/06 Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
• 2025/06/06 Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
• 2025/06/06 Re: [Wien] Compiling error delamora
• 2025/06/06 Re: [Wien] New findings on the lapw0 seg fault core dump error Peter Blaha
• 2025/06/06 Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
• 2025/06/06 Re: [Wien] lapw2 MPI error for mBJ calculations in 24.1 Peter Blaha
• 2025/06/05 Re: [Wien] lapw2 MPI error for mBJ calculations in 24.1 Straus, Daniel B
• 2025/06/05 [Wien] lapw2 MPI error for mBJ calculations in 24.1 Straus, Daniel B
• 2025/05/30 Re: [Wien] Compiling error Gavin Abo
• 2025/05/30 Re: [Wien] Compiling error delamora
• 2025/05/29 Re: [Wien] Compiling error Gavin Abo
• 2025/05/28 Re: [Wien] Compiling error delamora
• 2025/05/28 Re: [Wien] Compiling error delamora
• 2025/05/27 [Wien] Wien2k download MOMODUSANI AMINU
• 2025/05/27 Re: [Wien] lapw5 Peter Blaha
• 2025/05/27 [Wien] lapw5 Lukasz Plucinski
• 2025/05/26 Re: [Wien] lapw5 Lukasz Plucinski
• 2025/05/20 Re: [Wien] Compile time error Peeyush Kumar Kamlesh
• 2025/05/19 Re: [Wien] Peter-IRelakit morteza jamal via Wien
• 2025/05/18 [Wien] Peter- IRelakit morteza jamal via Wien
• 2025/05/17 [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
• 2025/05/16 Re: [Wien] Compile time error Gavin Abo
• 2025/05/16 [Wien] Compile time error Peeyush Kumar Kamlesh
• 2025/05/15 Re: [Wien] Trouble with .inorb files for LDA+U Peter Blaha
• 2025/05/15 [Wien] Trouble with .inorb files for LDA+U Lucas Philipi Pereira via Wien
• 2025/05/15 Re: [Wien] Compiling error Gavin Abo
• 2025/05/15 Re: [Wien] Compiling error delamora
• 2025/05/15 Re: [Wien] Compiling error Laurence Marks
• 2025/05/15 Re: [Wien] Compiling error Michael Fechtelkord via Wien
• 2025/05/15 Re: [Wien] Compiling error Michael Fechtelkord via Wien
• 2025/05/15 Re: [Wien] Compiling error Luis Ogando
• 2025/05/14 Re: [Wien] Compiling error Gavin Abo
• 2025/05/14 [Wien] Compiling error delamora
• 2025/05/09 Re: [Wien] Error in elastic calculations Gavin Abo
• 2025/05/08 Re: [Wien] Segmentation fault (core dumped) Gavin Abo
• 2025/05/08 Re: [Wien] Error in elastic calculations evren görkem özdemir
• 2025/05/08 Re: [Wien] Compile time error in WIEN2k_24.1 using oneAPI Peeyush Kumar Kamlesh
• 2025/05/08 [Wien] Segmentation fault (core dumped) Peeyush Kumar Kamlesh
• 2025/05/07 [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Hadjer MEZIANI via Wien
• 2025/05/07 Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
• 2025/05/07 Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
• 2025/05/07 Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
• 2025/05/07 Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Peter Blaha
• 2025/05/07 Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
• 2025/05/06 Re: [Wien] lapw5 Laurence Marks
• 2025/05/06 Re: [Wien] lapw5 pluto via Wien
• 2025/05/04 Re: [Wien] lapw5 Peter Blaha
• 2025/05/03 Re: [Wien] lapw5 Lukasz Plucinski
• 2025/05/02 Re: [Wien] Error in elastic calculations morteza jamal via Wien
• 2025/05/01 Re: [Wien] Error in elastic calculations Gavin Abo
• 2025/04/30 [Wien] Error in elastic calculations evren görkem özdemir
• 2025/04/30 Re: [Wien] Elpa 2025 Laurence Marks
• 2025/04/30 Re: [Wien] Compile time error in WIEN2k_24.1 using oneAPI Gavin Abo
• 2025/04/29 [Wien] Compile time error in WIEN2k_24.1 using oneAPI Peeyush Kumar Kamlesh
• 2025/04/26 Re: [Wien] Elpa 2025 Laurence Marks
• 2025/04/26 Re: [Wien] Elpa 2025 Michael Fechtelkord via Wien
• 2025/04/26 Re: [Wien] Elpa 2025 Fecher, Gerhard
• 2025/04/25 [Wien] Elpa 2025 Laurence Marks
• 2025/04/25 Re: [Wien] lapw5 Peter Blaha
• 2025/04/24 Re: [Wien] lapw5 Lukasz Plucinski
• 2025/04/24 [Wien] lapw5 pluto via Wien
• 2025/04/24 Re: [Wien] lapw5 Peter Blaha
• 2025/04/22 Re: [Wien] Valence Broadening of Emission Spectrum Francisco Garcia
• 2025/04/20 Re: [Wien] Valence Broadening of Emission Spectrum Gavin Abo
• 2025/04/19 [Wien] Valence Broadening of Emission Spectrum Francisco Garcia
• 2025/04/18 Re: [Wien] Question about Valence Band XPS Francisco Garcia
• 2025/04/18 Re: [Wien] EOF error during init_so_lapw Long Zhang via Wien
• 2025/04/17 Re: [Wien] EOF error during init_so_lapw Long Zhang via Wien
• 2025/04/16 [Wien] EOF error during init_so_lapw Long Zhang via Wien
• 2025/04/16 Re: [Wien] EOF error during init_so_lapw Long Zhang via Wien
• 2025/04/16 Re: [Wien] EOF error during init_so_lapw Laurence Marks
• 2025/04/16 Re: [Wien] EOF error during init_so_lapw Peter Blaha
• 2025/04/15 Re: [Wien] How to Plot 1D Charge Density Using WIEN2k Data? Peter Blaha
• 2025/04/15 [Wien] How to Plot 1D Charge Density Using WIEN2k Data? Hadjer MEZIANI via Wien
• 2025/04/14 Re: [Wien] Question about Valence Band XPS Peter Blaha
• 2025/04/12 [Wien] Question about Valence Band XPS Francisco Garcia
• 2025/04/10 Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Michael Fechtelkord via Wien
• 2025/04/09 Re: [Wien] compiling errors Gavin Abo
• 2025/04/09 Re: [Wien] compiling errors Michael Fechtelkord via Wien
• 2025/04/09 [Wien] compiling errors delamora
• 2025/04/07 Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Gavin Abo
• 2025/04/07 Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Fecher, Gerhard
• 2025/04/06 Re: [Wien] different :RTO values Lyudmila
• 2025/04/06 Re: [Wien] different :RTO values Stefaan Cottenier via Wien
• 2025/04/06 Re: [Wien] different :RTO values Stefaan Cottenier via Wien
• 2025/04/06 Re: [Wien] different :RTO values Lyudmila
• 2025/04/05 Re: [Wien] FFTW error in CRAY compilation Laurence Marks
• 2025/04/05 [Wien] FFTW error in CRAY compilation Francisco Garcia
• 2025/04/05 Re: [Wien] 4f core emission spectra error Francisco Garcia
• 2025/04/05 [Wien] setrmt and init_lapw Mikhail Nestoklon
• 2025/04/04 [Wien] different :RTO values Stefaan Cottenier via Wien
• 2025/04/02 Re: [Wien] 4f core emission spectra error Peter Blaha
• 2025/03/31 [Wien] 4f core emission spectra error Francisco Garcia
• 2025/03/29 Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Michael Fechtelkord via Wien
• 2025/03/29 Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Fecher, Gerhard
• 2025/03/29 [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Michael Fechtelkord via Wien
• 2025/03/28 Re: [Wien] Internal parameters optimization: ROTDEF error Peter Blaha
• 2025/03/23 Re: [Wien] setrmt and init_lapw Mikhail Nestoklon
• 2025/03/21 Re: [Wien] setrmt and init_lapw Peter Blaha
• 2025/03/15 [Wien] Bug in w2web: rho Peter Blaha
• 2025/03/13 Re: [Wien] Parallel make (make -j 4) Fecher, Gerhard
• 2025/03/12 [Wien] (no subject) nh hetache
• 2025/03/12 Re: [Wien] NEED IRELAST SOFTWARE tar file morteza jamal via Wien
• 2025/03/11 [Wien] Reply to the query about the C/A optimization of an ABX_3 type halide perovskite in WIEN2k. Piyush Kumar Dash
• 2025/03/11 [Wien] Parallel make (make -j 4) Laurence Marks
• 2025/03/04 Re: [Wien] fftw 3.3.10 cycle counter warning during configure Laurence Marks
• 2025/03/04 [Wien] fftw 3.3.10 cycle counter warning during configure Michael Fechtelkord via Wien
• 2025/03/03 Re: [Wien] ifx status? Gavin Abo
• 2025/03/03 Re: [Wien] Running extra cases in same directory IRELAST morteza jamal via Wien
• 2025/03/03 Re: [Wien] ifx status? Peter Blaha
• 2025/03/03 Re: [Wien] ifx status? Fecher, Gerhard
• 2025/03/03 [Wien] ifx status? Laurence Marks
• 2025/03/01 [Wien] Problem in lapw5 nearly solved Fecher, Gerhard
• 2025/03/01 [Wien] Problem in lapw5 Fecher, Gerhard
• 2025/03/01 Re: [Wien] Problem in lapw5 Fecher, Gerhard
• 2025/03/01 Re: [Wien] Problem in lapw5 Fecher, Gerhard
• 2025/03/01 Re: [Wien] Problem in lapw5 Laurence Marks
• 2025/03/01 Re: [Wien] Problem in lapw5 Laurence Marks
• 2025/03/01 Re: [Wien] Problem in lapw5 Laurence Marks
• 2025/02/28 Re: [Wien] Gd2O3 Hubbard U Gavin Abo
• 2025/02/28 Re: [Wien] Gd2O3 Hubbard U delamora
• 2025/02/26 Re: [Wien] Gd2O3 Hubbard U Peter Blaha
• 2025/02/26 [Wien] Gd2O3 Hubbard U delamora
• 2025/02/23 Re: [Wien] query about the C/A optimization of an ABX_3 type halide perovskite in WIEN2k. Gavin Abo
• 2025/02/19 [Wien] query about the C/A optimization of an ABX_3 type halide perovskite in WIEN2k. Piyush Kumar Dash
• 2025/02/14 Re: [Wien] Problem with libxc during WIEN2K installation Gavin Abo
• 2025/02/14 Re: [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
• 2025/02/14 Re: [Wien] Problem with libxc during WIEN2K installation Gavin Abo
• 2025/02/14 Re: [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
• 2025/02/14 Re: [Wien] Problem with libxc during WIEN2K installation Michael Fechtelkord via Wien
• 2025/02/14 Re: [Wien] Problem with libxc during WIEN2K installation Jan Doumont
• 2025/02/14 Re: [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
• 2025/02/12 Re: [Wien] Problem with libxc during WIEN2K installation Gavin Abo
• 2025/02/12 [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
• 2025/01/28 Re: [Wien] Problem with parallel jobs of comlex structures (supercells) on hpc Sergeev Gregory
• 2025/01/27 Re: [Wien] Calculation of Band structure and DOS through lmbj potential Burhan Ahmed
• 2025/01/27 Re: [Wien] Calculation of Band structure and DOS through lmbj potential Peter Blaha
• 2025/01/27 Re: [Wien] Segmentation error - Memory allocation for each processor Peter Blaha
• 2025/01/27 [Wien] Segmentation error - Memory allocation for each processor venky ch

• Earlier messages