wien

Messages by Date

2024/02/17 Re: [Wien] Wannier Peter Blaha
2024/02/16 Re: [Wien] Wannier pluto via Wien
2024/02/15 Re: [Wien] Wannier Mikhail Nestoklon via Wien
2024/02/15 Re: [Wien] BoltzTrap-electronic thermal conductivity Gavin Abo
2024/02/15 [Wien] BoltzTrap-electronic thermal conductivity Bara abujafar via Wien
2024/02/14 Re: [Wien] Wannier Peter Blaha
2024/02/14 Re: [Wien] Wannier Rubel, Oleg
2024/02/14 [Wien] Wannier pluto via Wien
2024/02/12 Re: [Wien] Few questions about onsite hybrids and so Pavel Ondračka
2024/02/12 Re: [Wien] Few questions about onsite hybrids and so Peter Blaha
2024/02/12 Re: [Wien] Few questions about onsite hybrids and so Pavel Ondračka
2024/02/12 Re: [Wien] Few questions about onsite hybrids and so Laurence Marks
2024/02/12 Re: [Wien] Few questions about onsite hybrids and so Pavel Ondračka
2024/02/12 Re: [Wien] Few questions about onsite hybrids and so Laurence Marks
2024/02/12 [Wien] Few questions about onsite hybrids and so Pavel Ondračka
2024/02/08 Re: [Wien] Error-Missing Header Gavin Abo
2024/02/08 [Wien] Error-Missing Header evren görkem özdemir
2024/02/08 Re: [Wien] Error in HF calculation shamik chakrabarti
2024/02/08 Re: [Wien] Error in HF calculation fabien . tran
2024/02/07 Re: [Wien] DOS with Spin-orbit coupling susanta mohanta
2024/02/07 [Wien] Error in HF calculation shamik chakrabarti
2024/02/07 Re: [Wien] DOS with Spin-orbit coupling Peter Blaha
2024/02/07 [Wien] DOS with Spin-orbit coupling susanta mohanta
2024/02/03 Re: [Wien] NbNiO3 antiferromagnetic delamora
2024/02/03 Re: [Wien] Sub: Regarding determination of optical constants and their plotting by using wien2k Peter Blaha
2024/02/03 Re: [Wien] NbNiO3 antiferromagnetic Peter Blaha
2024/02/02 [Wien] NbNiO3 antiferromagnetic delamora
2024/02/02 [Wien] Sub: Regarding determination of optical constants and their plotting by using wien2k K.S. Sharma
2024/01/31 Re: [Wien] WIEN2k fails to run: "TiC.clmsum no such file" Peter Blaha
2024/01/31 [Wien] WIEN2k fails to run: "TiC.clmsum no such file" Douglas Barlow via Wien
2024/01/30 Re: [Wien] .clmsum file question Peter Blaha
2024/01/30 [Wien] .clmsum file question Douglas Barlow via Wien
2024/01/29 Re: [Wien] Empty orbital band character in case.qtl Peter Blaha
2024/01/29 Re: [Wien] strange(?) LOPW - Error Fecher, Gerhard
2024/01/29 Re: [Wien] strange(?) LOPW - Error Peter Blaha
2024/01/29 Re: [Wien] strange(?) LOPW - Error Peter Blaha
2024/01/28 [Wien] strange(?) LOPW - Error Fecher, Gerhard
2024/01/27 [Wien] Empty orbital band character in case.qtl ANDRES GOMEZ BASTIDAS
2024/01/26 Re: [Wien] wien2k workshop Israel Omar Perez Lopez
2024/01/26 Re: [Wien] Intels Oneapi 2024: Compiler bug ? Peter Blaha
2024/01/26 Re: [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom Michael Fechtelkord via Wien
2024/01/26 Re: [Wien] Intels Oneapi 2024: Compiler bug ? Laurence Marks
2024/01/26 Re: [Wien] Intels Oneapi 2024: Compiler bug ? Michael Fechtelkord via Wien
2024/01/26 [Wien] wien2k workshop Peter Blaha
2024/01/25 Re: [Wien] Intels Oneapi 2024: Compiler bug ? Laurence Marks
2024/01/25 Re: [Wien] Intels Oneapi 2024: Compiler bug ? Jan Doumont
2024/01/25 Re: [Wien] Intels Oneapi 2024: Compiler bug ? Jan Doumont
2024/01/25 [Wien] Intels Oneapi 2024: Compiler bug ? Peter Blaha
2024/01/14 Re: [Wien] Atomic muffin tin potential output Fecher, Gerhard
2024/01/14 Re: [Wien] Atomic muffin tin potential output Peter Blaha
2024/01/13 [Wien] Atomic muffin tin potential output pluto via Wien
2024/01/03 Re: [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom Peter Blaha
2024/01/03 [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom Michael Fechtelkord via Wien
2023/12/30 [Wien] Slurm with omp/mpi Laurence Marks
2023/12/17 Re: [Wien] lapw1.def failed Gavin Abo
2023/12/17 Re: [Wien] lapw1.def failed shamik chakrabarti
2023/12/16 Re: [Wien] WIENncm installation error Peter Blaha
2023/12/16 Re: [Wien] WIENncm installation error Safikul Islam
2023/12/16 Re: [Wien] lapw1.def failed Fecher, Gerhard
2023/12/16 Re: [Wien] lapw1.def failed Lyudmila Dobysheva via Wien
2023/12/16 Re: [Wien] WIENncm installation error Fecher, Gerhard
2023/12/15 [Wien] lapw1.def failed shamik chakrabarti
2023/12/15 Re: [Wien] WIENncm installation error Peter Blaha
2023/12/15 Re: [Wien] WIENncm installation error Safikul Islam
2023/12/15 Re: [Wien] WIENncm installation error Gavin Abo
2023/12/14 Re: [Wien] WIENncm installation error Safikul Islam
2023/12/14 Re: [Wien] WIENncm invalid pointer error Gavin Abo
2023/12/14 Re: [Wien] WIENncm installation error Safikul Islam
2023/12/12 [Wien] Slurm + Intel impi Laurence Marks
2023/12/06 Re: [Wien] effective mass calculation using mstar Burhan Ahmed
2023/12/06 Re: [Wien] effective mass calculation using mstar Rubel, Oleg
2023/12/06 Re: [Wien] effective mass calculation using mstar Burhan Ahmed
2023/12/06 Re: [Wien] effective mass calculation using mstar Rubel, Oleg
2023/12/06 Re: [Wien] effective mass calculation using mstar Rubel, Oleg
2023/12/05 [Wien] effective mass calculation using mstar Burhan Ahmed
2023/12/01 Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Samolyuk, German D. via Wien
2023/11/30 Re: [Wien] WIEN2k-3233 Peter Blaha
2023/11/30 [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Peter Blaha
2023/11/30 Re: [Wien] WIEN2k-3233 Safae Benyoussef
2023/11/30 Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Peter Blaha
2023/11/30 Re: [Wien] WIEN2k-3233 Lyudmila Dobysheva via Wien
2023/11/29 Re: [Wien] Volume optimization of Sulfur shamik chakrabarti
2023/11/29 Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Samolyuk, German D. via Wien
2023/11/29 Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Peter Blaha
2023/11/29 Re: [Wien] Volume optimization of Sulfur pboulet
2023/11/29 Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Samolyuk, German D. via Wien
2023/11/29 Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Samolyuk, German D. via Wien
2023/11/29 Re: [Wien] YCo5 magnetic anisotropy calculations with GGA+U on Co Peter Blaha
2023/11/29 [Wien] Volume optimization of Sulfur shamik chakrabarti
2023/11/29 Re: [Wien] WIEN2k-3233 Peter Blaha
2023/11/29 Re: [Wien] WIEN2k-3233 Laurence Marks
2023/11/29 Re: [Wien] WIEN2k-3233 Safae Benyoussef
2023/11/29 [Wien] YCo5 magnetic anisotropy calculations with GGA+U on Co Samolyuk, German D. via Wien
2023/11/28 Re: [Wien] WIEN2k-3233 Lyudmila Dobysheva via Wien
2023/11/28 Re: [Wien] WIEN2k-3233 Safae Benyoussef
2023/11/28 [Wien] WIEN2k-3233 Safae Benyoussef
2023/11/28 [Wien] Ifort compiler error for wplot for newest one api Version 2024.0 Michael Fechtelkord via Wien
2023/11/24 Re: [Wien] Cholesky error in slab structure Peter Blaha
2023/11/24 [Wien] Cholesky error in slab structure Natalia Andreeva
2023/11/20 Re: [Wien] lapwso segfault Peter Blaha
2023/11/20 [Wien] lapwso segfault Mikhail Nestoklon via Wien
2023/11/19 Re: [Wien] WIENncm installation error Gavin Abo
2023/11/18 Re: [Wien] WIENncm installation error Safikul Islam
2023/11/18 Re: [Wien] WIENncm installation error Gavin Abo
2023/11/18 Re: [Wien] WIENncm installation error Safikul Islam
2023/11/17 Re: [Wien] Berrypi Error Rubel, Oleg
2023/11/17 Re: [Wien] WIENncm installation error Safikul Islam
2023/11/17 Re: [Wien] WIENncm installation error Peter Blaha
2023/11/17 Re: [Wien] Berrypi Error Rubel, Oleg
2023/11/17 Re: [Wien] WIENncm installation error Safikul Islam
2023/11/17 [Wien] Berrypi Error shahrbano rahimi
2023/11/17 Re: [Wien] WIENncm installation error Peter Blaha
2023/11/17 Re: [Wien] WIENncm installation error Safikul Islam
2023/11/17 Re: [Wien] Problem in All compilation Peter Blaha
2023/11/17 Re: [Wien] WIENncm installation error Peter Blaha
2023/11/16 Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Peter Blaha
2023/11/16 Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Michael Fechtelkord via Wien
2023/11/15 Re: [Wien] Problem in All compilation Shahid Mahmood Chaudhry via Wien
2023/11/15 Re: [Wien] Problem in All compilation Gavin Abo
2023/11/15 [Wien] Problem in All compilation Shahid Mahmood Chaudhry via Wien
2023/11/15 [Wien] Using WIEN2K with spack Sidney Pendelberry via Wien
2023/11/15 Re: [Wien] semicore band ranges too large error: for MoSi2N4 hajar.nejatipoor--- via Wien
2023/11/15 Re: [Wien] Parallel LAPW1 job suspended without any error message Peter Blaha
2023/11/14 Re: [Wien] Error in bandstructure using x spaghetti Peter Blaha
2023/11/14 [Wien] Error in bandstructure using x spaghetti 夏宇阳
2023/11/14 [Wien] Parallel LAPW1 job suspended without any error message heungsikim
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Peter Blaha
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 hajar.nejatipoor--- via Wien
2023/11/14 [Wien] wien2k workshop Peter Blaha
2023/11/14 Re: [Wien] Speed of cluster nodes Peter Blaha
2023/11/14 Re: [Wien] Speed of cluster nodes pluto via Wien
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Peter Blaha
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Laurence Marks
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Gavin Abo
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Peter Blaha
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 hajar.nejatipoor--- via Wien
2023/11/14 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Peter Blaha
2023/11/13 Re: [Wien] semicore band ranges too large error: for MoSi2N4 hajar.nejatipoor--- via Wien
2023/11/13 Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Michael Fechtelkord via Wien
2023/11/12 Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Peter Blaha
2023/11/12 Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Michael Fechtelkord via Wien
2023/11/12 Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Peter Blaha
2023/11/12 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Peter Blaha
2023/11/12 [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Michael Fechtelkord via Wien
2023/11/11 Re: [Wien] semicore band ranges too large error: for MoSi2N4 hajar.nejatipoor--- via Wien
2023/11/11 Re: [Wien] semicore band ranges too large error: for MoSi2N4 Peter Blaha
2023/11/11 [Wien] semicore band ranges too large error: for MoSi2N4 hajar.nejatipoor--- via Wien
2023/11/11 Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Peter Blaha
2023/11/11 Re: [Wien] Speed of cluster nodes Peter Blaha
2023/11/11 [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2) Michael Fechtelkord via Wien
2023/11/10 [Wien] Speed of cluster nodes pluto via Wien
2023/11/10 Re: [Wien] CuO crash Peter Blaha
2023/11/08 [Wien] Request to add my email to the WIEN2k mail list RAKESH DAS
2023/11/07 Re: [Wien] DOS energy range delamora
2023/11/07 Re: [Wien] Re-converge with smaller Ecut Peter Blaha
2023/11/07 [Wien] Re-converge with smaller Ecut pluto via Wien
2023/11/07 Re: [Wien] DOS energy range Peter Blaha
2023/11/06 [Wien] DOS energy range delamora
2023/11/02 Re: [Wien] WIEN2k-3233 Burhan Ahmed
2023/11/02 Re: [Wien] WIEN2k-3233 Peter Blaha
2023/11/02 [Wien] WIEN2k-3233 Safae Benyoussef
2023/10/25 Re: [Wien] init_lapw -nodstart and mBJ Mikhail Nestoklon via Wien
2023/10/25 Re: [Wien] init_lapw -nodstart and mBJ Peter Blaha
2023/10/25 [Wien] init_lapw -nodstart and mBJ Mikhail Nestoklon via Wien
2023/10/23 Re: [Wien] Error in parallel calculation Victor Zenou
2023/10/23 Re: [Wien] Error in parallel calculation Peter Blaha
2023/10/23 [Wien] Error in parallel calculation Victor Zenou
2023/10/14 [Wien] (no subject) Shalika R. Bhandari
2023/10/10 [Wien] 27th WIEN2k workshop (application is open) Peter Blaha
2023/10/03 Re: [Wien] error in Fermi shamik chakrabarti
2023/10/03 Re: [Wien] error in Fermi Lyudmila Dobysheva via Wien
2023/10/01 [Wien] error in Fermi shamik chakrabarti
2023/09/29 Re: [Wien] elastic morteza jamal via Wien
2023/09/27 Re: [Wien] Hubbard calculation Igor I Mazin
2023/09/27 Re: [Wien] Hubbard calculation Peter Blaha
2023/09/27 [Wien] Hubbard calculation Murat Aycibin
2023/09/23 Re: [Wien] Fwd: Fw: Accommodation in Trieste, Italy - April 8 - 19, 2024 - ICTP, Kastler Lecture Hall Pranjal Nandi
2023/09/23 [Wien] Fwd: Fw: Accommodation in Trieste, Italy - April 8 - 19, 2024 - ICTP, Kastler Lecture Hall Peter Blaha
2023/09/22 Re: [Wien] Columns in Help files Peter Blaha
2023/09/21 [Wien] Columns in Help files Guoping Zhang
2023/09/20 Re: [Wien] NEC01 charge leakage too large + adding info Peter Blaha
2023/09/20 [Wien] NEC01 charge leakage too large + adding info Changhoon Lee via Wien
2023/09/19 Re: [Wien] [ERROR: NEC01 charge leakage too large] Laurence Marks
2023/09/19 [Wien] [ERROR: NEC01 charge leakage too large] Changhoon Lee via Wien
2023/09/18 Re: [Wien] more than 999 inequivalent atoms in case.struct Tomas Kana
2023/09/18 Re: [Wien] more than 999 inequivalent atoms in case.struct Peter Blaha
2023/09/18 [Wien] more than 999 inequivalent atoms in case.struct Tomas Kana
2023/09/16 Re: [Wien] Confusion regarding k points in GGA & subsequent HSE06 calculation shamik chakrabarti
2023/09/16 [Wien] Confusion regarding k points in GGA & subsequent HSE06 calculation shamik chakrabarti
2023/09/13 Re: [Wien] Terminal closes automatically and the job terminates. fabien . tran
2023/09/13 Re: [Wien] band gap for structure with a defect Natalia Andreeva
2023/09/13 Re: [Wien] band gap for structure with a defect Natalia Andreeva
2023/09/13 Re: [Wien] x nn (init_lapw) Peter Blaha
2023/09/13 Re: [Wien] band gap for structure with a defect Peter Blaha
2023/09/13 Re: [Wien] Terminal closes automatically and the job terminates. Peter Blaha
2023/09/13 Re: [Wien] band gap for structure with a defect Igor I Mazin
2023/09/13 Re: [Wien] Terminal closes automatically and the job terminates. Hamza Bouafia
2023/09/13 [Wien] band gap for structure with a defect Natalia Andreeva
2023/09/13 [Wien] Terminal closes automatically and the job terminates. Pranjal Nandi
2023/09/13 [Wien] x nn (init_lapw) Wien2k User