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• 2026/05/01 [Wien] "Best" functional at the moment Laurence Marks
• 2026/05/01 Re: [Wien] ERROR " x lapw2 -fermi -p " for optical properties عبدالرزاق خيرالدين
• 2026/04/30 Re: [Wien] About spin-resolved optical analysis Laurence Marks
• 2026/04/30 Re: [Wien] About spin-resolved optical analysis Laurence Marks
• 2026/04/30 Re: [Wien] About spin-resolved optical analysis Peter Blaha
• 2026/04/29 Re: [Wien] About spin-resolved optical analysis Rubel, Oleg
• 2026/04/29 [Wien] About spin-resolved optical analysis evren görkem özdemir
• 2026/04/26 Re: [Wien] ERROR " x lapw2 -fermi -p " for optical properties عبدالرزاق خيرالدين
• 2026/04/26 Re: [Wien] ERROR " x lapw2 -fermi -p " for optical properties Peter Blaha
• 2026/04/26 [Wien] ERROR " x lapw2 -fermi -p " for optical properties عبدالرزاق خيرالدين
• 2026/04/25 Re: [Wien] Problem with make files in SRC_trig and SRC_w2w Gavin Abo
• 2026/04/25 Re: [Wien] Problem with make files in SRC_trig and SRC_w2w Gavin Abo
• 2026/04/25 [Wien] Problem with make files in SRC_trig and SRC_w2w Fecher, Gerhard
• 2026/04/12 [Wien] PDOS for several atoms of the same type Francisco Garcia
• 2026/04/09 Re: [Wien] Effective mass Rubel, Oleg
• 2026/04/09 Re: [Wien] Effective mass Peter Blaha
• 2026/04/09 Re: [Wien] Effective mass Laurence Marks
• 2026/04/09 Re: [Wien] Effective mass Laurence Marks
• 2026/04/08 Re: [Wien] Effective mass Rubel, Oleg
• 2026/04/08 Re: [Wien] Effective mass Laurence Marks
• 2026/04/08 Re: [Wien] Effective mass Laurence Marks
• 2026/04/08 Re: [Wien] Effective mass Rubel, Oleg
• 2026/04/08 [Wien] Effective mass Laurence Marks
• 2026/04/03 [Wien] SOLVED - OMP Error in combination with ELPA during compilation with ifx version higher than 2025.1 Michael Fechtelkord via Wien
• 2026/03/27 Re: [Wien] Issues Encountered During WIEN2k Installation and Compilation Michael Fechtelkord via Wien
• 2026/03/27 Re: [Wien] Issues Encountered During WIEN2k Installation and Compilation Gavin Abo
• 2026/03/27 [Wien] Issues Encountered During WIEN2k Installation and Compilation Sambita Dutta
• 2026/03/19 [Wien] Test Email – Please Disregard sjalali--- via Wien
• 2026/03/18 Re: [Wien] Problems with rutile structure with inorb Guoping Zhang
• 2026/03/18 Re: [Wien] Average electrostatic potential Rubel, Oleg
• 2026/03/18 [Wien] Average electrostatic potential uchit chaudhary
• 2026/03/17 Re: [Wien] Problems with rutile structure with inorb Peter Blaha
• 2026/03/17 Re: [Wien] Problems with rutile structure with inorb Peter Blaha
• 2026/03/16 [Wien] Problems with rutile structure with inorb Guoping Zhang
• 2026/03/15 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
• 2026/03/13 Re: [Wien] Issues with -O3 optimization and ifx Straus, Daniel B
• 2026/03/13 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Fecher, Gerhard
• 2026/03/13 Re: [Wien] Issues with -O3 optimization and ifx Fecher, Gerhard
• 2026/03/12 [Wien] Issues with -O3 optimization and ifx Straus, Daniel B
• 2026/03/12 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
• 2026/03/04 Re: [Wien] XcrysDen not appearing in w2web (View Struct tab missing) Gavin Abo
• 2026/03/04 [Wien] XcrysDen not appearing in w2web (View Struct tab missing) Samia Saafan
• 2026/02/28 Re: [Wien] ****** in case.klist_band from XCrySDen عبدالرزاق خيرالدين
• 2026/02/28 Re: [Wien] ****** in case.klist_band from XCrySDen Rubel, Oleg
• 2026/02/27 [Wien] (no subject) عبدالرزاق خيرالدين
• 2026/02/27 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
• 2026/02/27 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
• 2026/02/25 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
• 2026/02/24 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
• 2026/02/24 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
• 2026/02/24 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
• 2026/02/20 Re: [Wien] Total (MT+interstitial) up/dn charge density with SOC? Peter Blaha
• 2026/02/20 Re: [Wien] Constrained DFT+U on Fe-doped BaTiO3: Large discrepancies between setup density matrix, IPDOS, and output in .scfdm Peter Blaha
• 2026/02/20 [Wien] Constrained DFT+U on Fe-doped BaTiO3: Large discrepancies between setup density matrix, IPDOS, and output in .scfdm Li, Zhiyuan
• 2026/02/20 [Wien] (no subject) Li, Zhiyuan
• 2026/02/20 [Wien] Total (MT+interstitial) up/dn charge density with SOC? Lukasz Plucinski
• 2026/02/12 Re: [Wien] Possibility of Noncollinear AFM Calculations in WIEN2k (Mn3X: X = Sn, Ge, Ga) Peter Blaha
• 2026/02/12 [Wien] Possibility of Noncollinear AFM Calculations in WIEN2k (Mn3X: X = Sn, Ge, Ga) VIVEK PANDEY
• 2026/02/10 Re: [Wien] ncom too small error (sumpara) Laurence Marks
• 2026/02/10 Re: [Wien] ncom too small error (sumpara) Gavin Abo
• 2026/02/10 [Wien] ncom too small error (sumpara) Laurence Marks
• 2026/02/09 Re: [Wien] Deformation Potential Laurence Marks
• 2026/02/09 Re: [Wien] Deformation Potential uchit chaudhary
• 2026/02/08 Re: [Wien] Deformation Potential Laurence Marks
• 2026/02/08 Re: [Wien] Deformation Potential Gavin Abo
• 2026/02/08 [Wien] Deformation Potential uchit chaudhary
• 2026/01/26 Re: [Wien] Mstar output result Gavin Abo
• 2026/01/25 Re: [Wien] Mstar output result Rubel, Oleg
• 2026/01/25 Re: [Wien] Mstar output result Rubel, Oleg
• 2026/01/24 Re: [Wien] Mstar output result Peter Blaha
• 2026/01/24 Re: [Wien] Mstar output result Gavin Abo
• 2026/01/23 [Wien] Mstar output result uchit chaudhary
• 2026/01/20 Re: [Wien] Error in optic Rubel, Oleg
• 2026/01/20 Re: [Wien] Error in optic uchit chaudhary
• 2026/01/19 Re: [Wien] Assistance with Compiling mstar for Effective Mass Calculations with WIEN2k 23.1 Rubel, Oleg
• 2026/01/19 Re: [Wien] Error in optic Gavin Abo
• 2026/01/19 Re: [Wien] Error in optic Peter Blaha
• 2026/01/19 Re: [Wien] Error in optic uchit chaudhary
• 2026/01/19 Re: [Wien] Error in optic Peter Blaha
• 2026/01/19 [Wien] Error in optic uchit chaudhary
• 2026/01/18 Re: [Wien] Assistance with Compiling mstar for Effective Mass Calculations with WIEN2k 23.1 Peter Blaha
• 2026/01/18 [Wien] Assistance with Compiling mstar for Effective Mass Calculations with WIEN2k 23.1 uchit chaudhary
• 2026/01/08 [Wien] Quantum chemistry image donation(s) Laurence Marks
• 2025/12/23 [Wien] OMP Error in combination with ELPA during compilation with ifx version higher than 2025.1 Michael Fechtelkord via Wien
• 2025/12/22 Re: [Wien] Possible bugs in Mixer Guoping Zhang
• 2025/12/20 Re: [Wien] Possible bugs in Mixer Peter Blaha
• 2025/12/19 Re: [Wien] Possible bugs in Mixer Guoping Zhang
• 2025/12/19 Re: [Wien] Possible bugs in Mixer Guoping Zhang
• 2025/12/19 Re: [Wien] Possible bugs in Mixer Peter Blaha
• 2025/12/19 Re: [Wien] Possible bugs in Mixer Laurence Marks
• 2025/12/19 Re: [Wien] Possible bugs in Mixer Peter Blaha
• 2025/12/19 Re: [Wien] Possible bugs in Mixer Laurence Marks
• 2025/12/19 [Wien] Possible bugs in Mixer Guoping Zhang
• 2025/12/05 Re: [Wien] ATPAR Error in lapw1 for NMR calculation of 1H Michael Fechtelkord via Wien
• 2025/12/05 Re: [Wien] Parallel computation. Peter Blaha
• 2025/12/05 [Wien] Parallel computation. pradeep sharma
• 2025/12/04 Re: [Wien] ATPAR Error in lapw1 for NMR calculation of 1H Peter Blaha
• 2025/11/26 [Wien] ATPAR Error in lapw1 for NMR calculation of 1H Michael Fechtelkord via Wien
• 2025/11/24 Re: [Wien] We encountered some issues to install WiEN2k Peter Blaha
• 2025/11/23 [Wien] We encountered some issues to install WiEN2k Mohammad Abdul Alim via Wien
• 2025/11/10 [Wien] Setting RMT delamora
• 2025/11/10 Re: [Wien] set automatically RMT and continue editing delamora
• 2025/11/10 [Wien] Setting RMT delamora
• 2025/11/08 Re: [Wien] set automatically RMT and continue editing Gavin Abo
• 2025/11/07 Re: [Wien] Setting RMT Peter Blaha
• 2025/11/06 [Wien] Setting RMT delamora
• 2025/11/05 [Wien] set automatically RMT and continue editing delamora
• 2025/11/04 Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/11/04 Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
• 2025/11/02 Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/11/01 Re: [Wien] how to move my installation to another computer Gavin Abo
• 2025/11/01 [Wien] how to move my installation to another computer Omar Zayed via Wien
• 2025/11/01 Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/10/31 Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
• 2025/10/31 Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/10/31 Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
• 2025/10/31 Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/10/31 Re: [Wien] Error in MKL 2024.2 during NMR integration Fecher, Gerhard
• 2025/10/30 Re: [Wien] Error in MKL 2024.2 during NMR integration Fecher, Gerhard
• 2025/10/30 Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/10/30 Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
• 2025/10/30 Re: [Wien] Error in MKL 2024.2 during NMR integration Laurence Marks
• 2025/10/30 Re: [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/10/21 Re: [Wien] Compiling error with oneAPI Gavin Abo
• 2025/10/21 [Wien] Compiling error with oneAPI Zhu, Jianxin via Wien
• 2025/10/18 Re: [Wien] Au 4f XPS spectra Francisco Garcia
• 2025/10/18 [Wien] total DOS changes when computing interstitial PDOS Straus, Daniel B
• 2025/10/18 Re: [Wien] External electric field (bias) Peter Blaha
• 2025/10/18 [Wien] dftu and soc run error Long Zhang via Wien
• 2025/10/18 [Wien] QTL z and x directions Lukasz Plucinski
• 2025/10/18 Re: [Wien] External electric field (bias) Lukasz Plucinski
• 2025/10/18 Re: [Wien] Au 4f XPS spectra Lukasz Plucinski
• 2025/10/18 Re: [Wien] Compiling error Peter Blaha
• 2025/10/18 Re: [Wien] External electric field (bias) Lukasz Plucinski
• 2025/10/18 Re: [Wien] Compiling error delamora
• 2025/10/18 Re: [Wien] [SPAM?] 1s state of O in In2O3 Peter Blaha
• 2025/10/18 [Wien] Formation energy حسين اصغر رهنماي علي آباد via Wien
• 2025/10/18 Re: [Wien] Au 4f XPS spectra Peter Blaha
• 2025/10/18 [Wien] Au 4f XPS spectra Francisco Garcia
• 2025/10/18 [Wien] FERMI-Error during DOS calculation Rao Shruti Arya
• 2025/10/18 [Wien] [SPAM?] 1s state of O in In2O3 Afridi, Al Mojahid (S&T-Student)
• 2025/10/18 [Wien] Compiling error delamora
• 2025/10/18 Re: [Wien] Formation energy Xavier Rocquefelte
• 2025/10/18 Re: [Wien] total DOS changes when computing interstitial PDOS Straus, Daniel B
• 2025/10/17 Re: [Wien] Au 4f XPS spectra Laurence Marks
• 2025/10/17 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• 2025/10/17 Re: [Wien] Compiling error Gavin Abo
• 2025/10/17 Re: [Wien] External electric field (bias) Peter Blaha
• 2025/10/17 Re: [Wien] Missing Pu 6d photoionization cross-section data Peter Blaha
• 2025/10/17 Re: [Wien] FERMI-Error during DOS calculation Peter Blaha
• 2025/10/17 [Wien] External electric field (bias) Lukasz Plucinski
• 2025/10/17 Re: [Wien] QTL z and x directions Peter Blaha
• 2025/10/17 [Wien] Missing Pu 6d photoionization cross-section data Francisco Garcia
• 2025/10/17 Re: [Wien] Missing Pu 6d photoionization cross-section data Jindrich Kolorenc
• 2025/10/14 Re: [Wien] dftu and soc run error Peter Blaha
• 2025/10/13 Re: [Wien] Compiling error Gavin Abo
• 2025/10/13 Re: [Wien] External electric field (bias) Laurence Marks
• 2025/10/10 Re: [Wien] External electric field (bias) Laurence Marks
• 2025/10/08 [Wien] Compiling error delamora
• 2025/10/02 Re: [Wien] Formation energy حسين اصغر رهنماي علي آباد via Wien
• 2025/10/01 Re: [Wien] Formation energy Rubel, Oleg
• 2025/09/24 Re: [Wien] Error in MKL 2024.2 during NMR integration Peter Blaha
• 2025/09/23 [Wien] Error in MKL 2024.2 during NMR integration Michael Fechtelkord via Wien
• 2025/09/20 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Straus, Daniel B
• 2025/09/20 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Peter Blaha
• 2025/09/17 [Wien] An error in mixer which happened one time currently Michael Fechtelkord via Wien
• 2025/09/17 Re: [Wien] An error in mixer which happened one time currently Michael Fechtelkord via Wien
• 2025/09/17 Re: [Wien] An error in mixer which happened one time currently Laurence Marks
• 2025/09/10 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Fecher, Gerhard
• 2025/09/10 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Fecher, Gerhard
• 2025/09/10 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Straus, Daniel B
• 2025/09/10 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Laurence Marks
• 2025/09/09 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Fecher, Gerhard
• 2025/09/09 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Laurence Marks
• 2025/09/09 Re: [Wien] Error in tetra.job Peter Blaha
• 2025/09/08 [Wien] Error in tetra.job Peeyush Kumar Kamlesh
• 2025/09/06 Re: [Wien] Electric Displacement Field & Debye Length? Rubel, Oleg
• 2025/09/03 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Michael Fechtelkord via Wien
• 2025/09/02 Re: [Wien] FFTW and ifx/icx issue relevant to WIEN2k Gavin Abo
• 2025/09/02 [Wien] Electric Displacement Field & Debye Length? Laurence Marks
• 2025/09/02 [Wien] FFTW and ifx/icx issue relevant to WIEN2k Straus, Daniel B
• 2025/09/01 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• 2025/09/01 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Gavin Abo
• 2025/09/01 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• 2025/08/31 [Wien] SRC_trig ifx patch Gavin Abo
• 2025/08/31 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Gavin Abo
• 2025/08/30 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• 2025/08/29 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• 2025/08/29 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Peter Blaha
• 2025/08/29 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Laurence Marks
• 2025/08/29 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• 2025/08/29 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Laurence Marks
• 2025/08/29 Re: [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Laurence Marks
• 2025/08/29 [Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error Michael Fechtelkord via Wien
• 2025/08/25 Re: [Wien] Help Needed – IRelast Initialization Error morteza jamal via Wien
• 2025/08/12 Re: [Wien] WIEN2k: Charge leakage error for In2O3 Peter Blaha
• 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

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