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• Re: [Wien] WIEN2k: Charge leakage error for In2O3 Peter Blaha
• [Wien] WIEN2k LAPW1 crashes sometimes during eigenvector calculation for NMR Chemical Shift Michael Fechtelkord
• [Wien] Nonlinear optical properties Mohaddeseh Abbasnejad
  • Re: [Wien] Nonlinear optical properties Gavin Abo
  • Re: [Wien] Nonlinear optical properties Mohaddeseh Abbasnejad
• [Wien] DOS with spin-orbit and orb susanta mohanta
  • Re: [Wien] DOS with spin-orbit and orb Peter Blaha
  • Re: [Wien] DOS with spin-orbit and orb susanta mohanta
  • Re: [Wien] DOS with spin-orbit and orb Peter Blaha
  • Re: [Wien] DOS with spin-orbit and orb susanta mohanta
• [Wien] Issue with MBJ Potential Calculation in WIEN2k24.1 (MPI error in lapw2para) Sergeev Gregory
  • Re: [Wien] Issue with MBJ Potential Calculation in WIEN2k24.1 (MPI error in lapw2para) Peter Blaha
• [Wien] Compiling wien2wannier with ifx Gavin Abo
• [Wien] AMD AOCC compiler Straus, Daniel B
• [Wien] installation error susanta mohanta
  • Re: [Wien] installation error Gavin Abo
  • Re: [Wien] installation error susanta mohanta
  • Re: [Wien] installation error Gavin Abo
  • Re: [Wien] installation error susanta mohanta
  • Re: [Wien] installation error Michael Fechtelkord
  • Re: [Wien] installation error susanta mohanta
  • Re: [Wien] installation error Laurence Marks
  • Re: [Wien] installation error Michael Fechtelkord
  • Re: [Wien] installation error Peter Blaha
  • Re: [Wien] installation error Michael Fechtelkord
  • Re: [Wien] installation error Michael Fechtelkord
  • [Wien] LAPW0 -- again Fecher, Gerhard
  • Re: [Wien] LAPW0 -- again Michael Fechtelkord
  • Re: [Wien] LAPW0 -- again Fecher, Gerhard
  • Re: [Wien] LAPW0 -- again Michael Fechtelkord
  • Re: [Wien] LAPW0 -- again Peter Blaha
  • Re: [Wien] LAPW0 -- again Michael Fechtelkord
  • Re: [Wien] LAPW0 -- again Fecher, Gerhard
  • Re: [Wien] LAPW0 -- again Michael Fechtelkord
  • Re: [Wien] LAPW0 -- again Peter Blaha
  • Re: [Wien] LAPW0 -- again Michael Fechtelkord
  • Re: [Wien] LAPW0 -- again Laurence Marks
  • Re: [Wien] LAPW0 -- again Michael Fechtelkord
  • Re: [Wien] LAPW0 -- again Gavin Abo
  • Re: [Wien] installation error Gavin Abo
• [Wien] Rhombohedral unit cell Lukasz Plucinski
  • Re: [Wien] Rhombohedral unit cell Peter Blaha
• [Wien] OMP conflicts using the recent oneapi version 2025.2 Michael Fechtelkord
  • Re: [Wien] OMP conflicts using the recent oneapi version 2025.2 Michael Fechtelkord
• [Wien] Testing of mixer 11.4 Laurence Marks
• [Wien] Small bug in mixer WIEN2k_24.1 Peter Blaha
• [Wien] run init_so_lapw non-interactively Long Zhang via Wien
  • Re: [Wien] run init_so_lapw non-interactively Mikhail Nestoklon
  • Re: [Wien] run init_so_lapw non-interactively Long Zhang via Wien
• [Wien] lapw2 MPI error for mBJ calculations in 24.1 Straus, Daniel B
  • Re: [Wien] lapw2 MPI error for mBJ calculations in 24.1 Straus, Daniel B
  • Re: [Wien] lapw2 MPI error for mBJ calculations in 24.1 Peter Blaha
• [Wien] Wien2k download MOMODUSANI AMINU
• [Wien] lapw5 Lukasz Plucinski
  • Re: [Wien] lapw5 Peter Blaha
• Re: [Wien] Peter-IRelakit morteza jamal via Wien
• [Wien] Peter- IRelakit morteza jamal via Wien
• [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Peter Blaha
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Peter Blaha
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Peter Blaha
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Fecher, Gerhard
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Fecher, Gerhard
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Michael Fechtelkord via Wien
  • Re: [Wien] New findings on the lapw0 seg fault core dump error Laurence Marks
  • [Wien] Another ifx issue (on AMD EPYC) Fecher, Gerhard
  • [Wien] W2WEB problem with sructure in spgrp 166 Fecher, Gerhard
  • Re: [Wien] W2WEB problem with sructure in spgrp 166 Peter Blaha
• [Wien] Compile time error Peeyush Kumar Kamlesh
  • Re: [Wien] Compile time error Gavin Abo
  • Re: [Wien] Compile time error Peeyush Kumar Kamlesh
• [Wien] Trouble with .inorb files for LDA+U Lucas Philipi Pereira via Wien
  • Re: [Wien] Trouble with .inorb files for LDA+U Peter Blaha
• [Wien] Segmentation fault (core dumped) Peeyush Kumar Kamlesh
  • Re: [Wien] Segmentation fault (core dumped) Gavin Abo
• [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Hadjer MEZIANI via Wien
  • Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
  • Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Peter Blaha
  • Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
  • Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
  • Re: [Wien] Fixing Atomic Positions During Geometry minimization:constraint failed! Laurence Marks
• [Wien] Error in elastic calculations evren görkem özdemir
  • Re: [Wien] Error in elastic calculations Gavin Abo
  • Re: [Wien] Error in elastic calculations morteza jamal via Wien
  • Re: [Wien] Error in elastic calculations evren görkem özdemir
  • Re: [Wien] Error in elastic calculations Gavin Abo
• [Wien] Compile time error in WIEN2k_24.1 using oneAPI Peeyush Kumar Kamlesh
  • Re: [Wien] Compile time error in WIEN2k_24.1 using oneAPI Gavin Abo
  • Re: [Wien] Compile time error in WIEN2k_24.1 using oneAPI Peeyush Kumar Kamlesh
• [Wien] Elpa 2025 Laurence Marks
  • Re: [Wien] Elpa 2025 Fecher, Gerhard
  • Re: [Wien] Elpa 2025 Laurence Marks
  • Re: [Wien] Elpa 2025 Michael Fechtelkord via Wien
  • Re: [Wien] Elpa 2025 Laurence Marks
• [Wien] Valence Broadening of Emission Spectrum Francisco Garcia
  • Re: [Wien] Valence Broadening of Emission Spectrum Gavin Abo
  • Re: [Wien] Valence Broadening of Emission Spectrum Francisco Garcia
  • [Wien] lapw5 pluto via Wien
  • Re: [Wien] lapw5 Peter Blaha
  • Re: [Wien] lapw5 Lukasz Plucinski
  • Re: [Wien] lapw5 Peter Blaha
  • Re: [Wien] lapw5 Lukasz Plucinski
  • Re: [Wien] lapw5 Peter Blaha
  • Re: [Wien] lapw5 pluto via Wien
  • Re: [Wien] lapw5 Laurence Marks
  • Re: [Wien] lapw5 Lukasz Plucinski
• [Wien] EOF error during init_so_lapw Long Zhang via Wien
  • Re: [Wien] EOF error during init_so_lapw Peter Blaha
  • Re: [Wien] EOF error during init_so_lapw Laurence Marks
  • Re: [Wien] EOF error during init_so_lapw Long Zhang via Wien
  • Re: [Wien] EOF error during init_so_lapw Long Zhang via Wien
  • Re: [Wien] EOF error during init_so_lapw Long Zhang via Wien
• [Wien] How to Plot 1D Charge Density Using WIEN2k Data? Hadjer MEZIANI via Wien
  • Re: [Wien] How to Plot 1D Charge Density Using WIEN2k Data? Peter Blaha
• [Wien] Question about Valence Band XPS Francisco Garcia
  • Re: [Wien] Question about Valence Band XPS Peter Blaha
  • Re: [Wien] Question about Valence Band XPS Francisco Garcia
• [Wien] compiling errors delamora
  • Re: [Wien] compiling errors Michael Fechtelkord via Wien
  • Re: [Wien] compiling errors Gavin Abo
• [Wien] FFTW error in CRAY compilation Francisco Garcia
  • Re: [Wien] FFTW error in CRAY compilation Laurence Marks
• [Wien] setrmt and init_lapw Mikhail Nestoklon
  • Re: [Wien] setrmt and init_lapw Peter Blaha
  • Re: [Wien] setrmt and init_lapw Mikhail Nestoklon
• [Wien] different :RTO values Stefaan Cottenier via Wien
  • Re: [Wien] different :RTO values Lyudmila
  • Re: [Wien] different :RTO values Stefaan Cottenier via Wien
  • Re: [Wien] different :RTO values Lyudmila
  • Re: [Wien] different :RTO values Stefaan Cottenier via Wien
• [Wien] 4f core emission spectra error Francisco Garcia
  • Re: [Wien] 4f core emission spectra error Peter Blaha
  • Re: [Wien] 4f core emission spectra error Francisco Garcia
• [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Michael Fechtelkord via Wien
  • Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Fecher, Gerhard
  • 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
  • Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Fecher, Gerhard
  • Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler Gavin Abo
  • 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
• Re: [Wien] Internal parameters optimization: ROTDEF error Peter Blaha
• [Wien] Bug in w2web: rho Peter Blaha
• Re: [Wien] NEED IRELAST SOFTWARE tar file morteza jamal via Wien
• [Wien] Reply to the query about the C/A optimization of an ABX_3 type halide perovskite in WIEN2k. Piyush Kumar Dash
• [Wien] Parallel make (make -j 4) Laurence Marks
  • Re: [Wien] Parallel make (make -j 4) Fecher, Gerhard
• [Wien] fftw 3.3.10 cycle counter warning during configure Michael Fechtelkord via Wien
  • Re: [Wien] fftw 3.3.10 cycle counter warning during configure Laurence Marks
• Re: [Wien] Running extra cases in same directory IRELAST morteza jamal via Wien
• [Wien] ifx status? Laurence Marks
  • Re: [Wien] ifx status? Fecher, Gerhard
  • Re: [Wien] ifx status? Peter Blaha
  • Re: [Wien] ifx status? Gavin Abo
• [Wien] Gd2O3 Hubbard U delamora
  • Re: [Wien] Gd2O3 Hubbard U Peter Blaha
  • Re: [Wien] Gd2O3 Hubbard U delamora
  • Re: [Wien] Gd2O3 Hubbard U Gavin Abo
  • [Wien] Compiling error delamora
  • Re: [Wien] Compiling error Gavin Abo
  • Re: [Wien] Compiling error Luis Ogando
  • Re: [Wien] Compiling error Michael Fechtelkord via Wien
  • Re: [Wien] Compiling error Michael Fechtelkord via Wien
  • Re: [Wien] Compiling error Laurence Marks
  • Re: [Wien] Compiling error delamora
  • Re: [Wien] Compiling error delamora
  • Re: [Wien] Compiling error delamora
  • Re: [Wien] Compiling error Gavin Abo
  • Re: [Wien] Compiling error delamora
  • Re: [Wien] Compiling error Gavin Abo
  • Re: [Wien] Compiling error delamora
  • Re: [Wien] Compiling error delamora
  • Re: [Wien] Compiling error Fecher, Gerhard
  • Re: [Wien] Compiling error Gavin Abo
• [Wien] query about the C/A optimization of an ABX_3 type halide perovskite in WIEN2k. Piyush Kumar Dash
  • Re: [Wien] query about the C/A optimization of an ABX_3 type halide perovskite in WIEN2k. Gavin Abo
• [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
  • Re: [Wien] Problem with libxc during WIEN2K installation Gavin Abo
  • Re: [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
  • Re: [Wien] Problem with libxc during WIEN2K installation Jan Doumont
  • Re: [Wien] Problem with libxc during WIEN2K installation Michael Fechtelkord via Wien
  • Re: [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
  • Re: [Wien] Problem with libxc during WIEN2K installation Banashree Sadhukhan
  • Re: [Wien] Problem with libxc during WIEN2K installation Gavin Abo
  • Re: [Wien] Problem with libxc during WIEN2K installation Gavin Abo
• [Wien] Segmentation error - Memory allocation for each processor venky ch
  • Re: [Wien] Segmentation error - Memory allocation for each processor Peter Blaha
  • [Wien] Problem in lapw5 Fecher, Gerhard
  • Re: [Wien] Problem in lapw5 Laurence Marks
  • Re: [Wien] Problem in lapw5 Laurence Marks
  • Re: [Wien] Problem in lapw5 Laurence Marks
  • Re: [Wien] Problem in lapw5 Fecher, Gerhard
  • [Wien] Problem in lapw5 nearly solved Fecher, Gerhard
  • Re: [Wien] Problem in lapw5 Fecher, Gerhard
• [Wien] Calculation of Band structure and DOS through lmbj potential Burhan Ahmed
  • Re: [Wien] Calculation of Band structure and DOS through lmbj potential Peter Blaha
  • Re: [Wien] Calculation of Band structure and DOS through lmbj potential Burhan Ahmed

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