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• [Wien] Issues with -O3 optimization and ifx Straus, Daniel B
  • Re: [Wien] Issues with -O3 optimization and ifx Fecher, Gerhard
  • Re: [Wien] Issues with -O3 optimization and ifx Straus, Daniel B
• [Wien] XcrysDen not appearing in w2web (View Struct tab missing) Samia Saafan
  • Re: [Wien] XcrysDen not appearing in w2web (View Struct tab missing) Gavin Abo
• [Wien] Constrained DFT+U on Fe-doped BaTiO3: Large discrepancies between setup density matrix, IPDOS, and output in .scfdm Li, Zhiyuan
  • Re: [Wien] Constrained DFT+U on Fe-doped BaTiO3: Large discrepancies between setup density matrix, IPDOS, and output in .scfdm Peter Blaha
• [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Fecher, Gerhard
  • Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
• [Wien] Possibility of Noncollinear AFM Calculations in WIEN2k (Mn3X: X = Sn, Ge, Ga) VIVEK PANDEY
  • Re: [Wien] Possibility of Noncollinear AFM Calculations in WIEN2k (Mn3X: X = Sn, Ge, Ga) Peter Blaha
• [Wien] ncom too small error (sumpara) Laurence Marks
  • Re: [Wien] ncom too small error (sumpara) Gavin Abo
  • Re: [Wien] ncom too small error (sumpara) Laurence Marks
• [Wien] Deformation Potential uchit chaudhary
  • Re: [Wien] Deformation Potential Gavin Abo
  • Re: [Wien] Deformation Potential Laurence Marks
  • Re: [Wien] Deformation Potential uchit chaudhary
  • Re: [Wien] Deformation Potential Laurence Marks
• [Wien] Mstar output result uchit chaudhary
  • Re: [Wien] Mstar output result Gavin Abo
  • Re: [Wien] Mstar output result Rubel, Oleg
  • Re: [Wien] Mstar output result Gavin Abo
  • Re: [Wien] Mstar output result Peter Blaha
  • Re: [Wien] Mstar output result Rubel, Oleg
• [Wien] Error in optic uchit chaudhary
  • Re: [Wien] Error in optic Peter Blaha
  • Re: [Wien] Error in optic uchit chaudhary
  • Re: [Wien] Error in optic Peter Blaha
  • Re: [Wien] Error in optic Gavin Abo
  • Re: [Wien] Error in optic uchit chaudhary
  • Re: [Wien] Error in optic Rubel, Oleg
• [Wien] Assistance with Compiling mstar for Effective Mass Calculations with WIEN2k 23.1 uchit chaudhary
  • Re: [Wien] Assistance with Compiling mstar for Effective Mass Calculations with WIEN2k 23.1 Peter Blaha
  • Re: [Wien] Assistance with Compiling mstar for Effective Mass Calculations with WIEN2k 23.1 Rubel, Oleg
• [Wien] Quantum chemistry image donation(s) Laurence Marks
• [Wien] OMP Error in combination with ELPA during compilation with ifx version higher than 2025.1 Michael Fechtelkord via Wien
• [Wien] Possible bugs in Mixer Guoping Zhang
  • Re: [Wien] Possible bugs in Mixer Laurence Marks
  • Re: [Wien] Possible bugs in Mixer Guoping Zhang
  • Re: [Wien] Possible bugs in Mixer Peter Blaha
  • Re: [Wien] Possible bugs in Mixer Laurence Marks
  • Re: [Wien] Possible bugs in Mixer Peter Blaha
  • Re: [Wien] Possible bugs in Mixer Guoping Zhang
  • Re: [Wien] Possible bugs in Mixer Peter Blaha
  • Re: [Wien] Possible bugs in Mixer Guoping Zhang
• [Wien] Parallel computation. pradeep sharma
  • Re: [Wien] Parallel computation. Peter Blaha
• [Wien] ATPAR Error in lapw1 for NMR calculation of 1H Michael Fechtelkord via Wien
  • Re: [Wien] ATPAR Error in lapw1 for NMR calculation of 1H Peter Blaha
  • Re: [Wien] ATPAR Error in lapw1 for NMR calculation of 1H Michael Fechtelkord via Wien
• [Wien] We encountered some issues to install WiEN2k Mohammad Abdul Alim via Wien
  • Re: [Wien] We encountered some issues to install WiEN2k Peter Blaha
• [Wien] set automatically RMT and continue editing delamora
  • [Wien] Setting RMT delamora
  • Re: [Wien] Setting RMT Peter Blaha
  • [Wien] Setting RMT delamora
  • [Wien] Setting RMT delamora
  • Re: [Wien] set automatically RMT and continue editing Gavin Abo
  • Re: [Wien] set automatically RMT and continue editing delamora
• [Wien] how to move my installation to another computer Omar Zayed via Wien
  • Re: [Wien] how to move my installation to another computer Gavin Abo
• [Wien] Compiling error with oneAPI Zhu, Jianxin via Wien
  • Re: [Wien] Compiling error with oneAPI Gavin Abo
• [Wien] total DOS changes when computing interstitial PDOS Straus, Daniel B
  • Re: [Wien] total DOS changes when computing interstitial PDOS Straus, Daniel B
• [Wien] dftu and soc run error Long Zhang via Wien
  • Re: [Wien] dftu and soc run error Peter Blaha
• [Wien] QTL z and x directions Lukasz Plucinski
  • Re: [Wien] QTL z and x directions Peter Blaha
• [Wien] Formation energy حسين اصغر رهنماي علي آباد via Wien
  • Re: [Wien] Formation energy Xavier Rocquefelte
  • Re: [Wien] Formation energy Rubel, Oleg
  • Re: [Wien] Formation energy حسين اصغر رهنماي علي آباد via Wien
• [Wien] Au 4f XPS spectra Francisco Garcia
  • Re: [Wien] Au 4f XPS spectra Peter Blaha
  • Re: [Wien] Au 4f XPS spectra Lukasz Plucinski
  • Re: [Wien] Au 4f XPS spectra Laurence Marks
  • Re: [Wien] Au 4f XPS spectra Francisco Garcia
• [Wien] FERMI-Error during DOS calculation Rao Shruti Arya
  • Re: [Wien] FERMI-Error during DOS calculation Peter Blaha
• [Wien] [SPAM?] 1s state of O in In2O3 Afridi, Al Mojahid (S&T-Student)
  • Re: [Wien] [SPAM?] 1s state of O in In2O3 Peter Blaha
• [Wien] External electric field (bias) Lukasz Plucinski
  • Re: [Wien] External electric field (bias) Laurence Marks
  • Re: [Wien] External electric field (bias) Peter Blaha
  • Re: [Wien] External electric field (bias) Lukasz Plucinski
  • Re: [Wien] External electric field (bias) Peter Blaha
  • Re: [Wien] External electric field (bias) Lukasz Plucinski
  • Re: [Wien] External electric field (bias) Laurence Marks
• [Wien] Missing Pu 6d photoionization cross-section data Francisco Garcia
  • Re: [Wien] Missing Pu 6d photoionization cross-section data Peter Blaha
  • Re: [Wien] Missing Pu 6d photoionization cross-section data Jindrich Kolorenc
• [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Laurence Marks
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Fecher, Gerhard
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Fecher, Gerhard
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
  • Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• [Wien] An error in mixer which happened one time currently Michael Fechtelkord via Wien
  • Re: [Wien] An error in mixer which happened one time currently Laurence Marks
  • Re: [Wien] An error in mixer which happened one time currently Michael Fechtelkord via Wien
• [Wien] Error in tetra.job Peeyush Kumar Kamlesh
  • Re: [Wien] Error in tetra.job Peter Blaha
• [Wien] Electric Displacement Field & Debye Length? Laurence Marks
  • Re: [Wien] Electric Displacement Field & Debye Length? Rubel, Oleg
• [Wien] FFTW and ifx/icx issue relevant to WIEN2k Straus, Daniel B
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Gavin Abo
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Michael Fechtelkord via Wien
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Straus, Daniel B
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Laurence Marks
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Fecher, Gerhard
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Laurence Marks
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Fecher, Gerhard
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Peter Blaha
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Straus, Daniel B
  • Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Fecher, Gerhard
• [Wien] SRC_trig ifx patch Gavin Abo
• [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Laurence Marks
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Laurence Marks
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Laurence Marks
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Gavin Abo
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Peter Blaha
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Gavin Abo
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
  • Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• Re: [Wien] Help Needed – IRelast Initialization Error morteza jamal via Wien
• 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

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