June 2023 Archives by date

• Messages sorted by: [ thread ] [ subject ] [ author ]
• More info on this list...

Starting: Thu Jun 1 07:51:20 CEST 2023
Ending: Wed Jun 28 23:21:06 CEST 2023
Messages: 152

• [Wien] dispersion correction for superheavy elements in Wien2k ?   Peter Blaha
• [Wien] almblm and radwf files   pluto
• [Wien] Install boltztrap1.2.5   عبدالرزاق خيرالدين
• [Wien] Install boltztrap1.2.5   Gavin Abo
• [Wien] Query about clean_lapw   shamik chakrabarti
• [Wien] relaxation and optimisation using r2SCAN   Hamza Bouafia
• [Wien] Install boltztrap1.2.5   عبدالرزاق خيرالدين
• [Wien] Query about clean_lapw   Peter Blaha
• [Wien] relaxation and optimisation using r2SCAN   Peter Blaha
• [Wien] question about wein2k and libxc   Natalia Andreeva
• [Wien] relaxation and optimisation using r2SCAN   Laurence Marks
• [Wien] almblm and radwf files   Peter Blaha
• [Wien] question about wein2k and libxc   Peter Blaha
• [Wien] Query about clean_lapw   fabien.tran at vasp.at
• [Wien] Query about clean_lapw   shamik chakrabarti
• [Wien] shell script issue   pluto
• [Wien] Issues with ifort and MKL while installing on Red Hat   Brandon Gunn
• [Wien] Issues with ifort and MKL while installing on Red Hat   Brandon Gunn
• [Wien] Issues with ifort and MKL while installing on Red Hat   Brandon Gunn
• [Wien] Issues with ifort and MKL while installing on Red Hat   Laurence Marks
• [Wien] Issues with ifort and MKL while installing on Red Hat   Jan Doumont
• [Wien] Issues with ifort and MKL while installing on Red Hat   Brandon Gunn
• [Wien] Issues with ifort and MKL while installing on Red Hat   Brandon Gunn
• [Wien] relaxation and optimisation using r2SCAN   Hamza Bouafia
• [Wien] Issues with ifort and MKL while installing on Red Hat   Laurence Marks
• [Wien] Issues with ifort and MKL while installing on Red Hat   Gavin Abo
• [Wien] Issues with ifort and MKL while installing on Red Hat   Laurence Marks
• [Wien] Issues with ifort and MKL while installing on Red Hat   Peter Blaha
• [Wien] question about wein2k and libxc   Natalia Andreeva
• [Wien] FFTW compiling   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] FFTW compiling   Gavin Abo
• [Wien] upgradation of wien2k   Burhan Ahmed
• [Wien] upgradation of wien2k   Peter Blaha
• [Wien] Few questions regarding Install WIEN2k 23.2 with gfortran   Victor Zenou
• [Wien] No job scheduler   Lawal Mohammed
• [Wien] Few questions regarding Install WIEN2k 23.2 with gfortran   Peter Blaha
• [Wien] No job scheduler   Peter Blaha
• [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ?   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ?   Peter Blaha
• [Wien] No job scheduler   Lawal Mohammed
• [Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ?   Pavel Ondračka
• [Wien] FFTW compiling   Pavel Ondračka
• [Wien] FFTW compiling   Laurence Marks
• [Wien] Surface dipole of a metal   Laurence Marks
• [Wien] Surface dipole of a metal   sjalali at sci.ui.ac.ir
• [Wien] Surface dipole of a metal   Laurence Marks
• [Wien] Surface dipole of a metal   sjalali at sci.ui.ac.ir
• [Wien] Surface dipole of a metal   Fecher, Gerhard
• [Wien] Band gap not matching with materials project data   shamik chakrabarti
• [Wien] Surface dipole of a metal   Laurence Marks
• [Wien] Surface dipole of a metal   Peter Blaha
• [Wien] Band gap not matching with materials project data   fabien.tran at vasp.at
• [Wien] Band gap not matching with materials project data   Peter Blaha
• [Wien] Band gap not matching with materials project data   shamik chakrabarti
• [Wien] Band gap not matching with materials project data   shamik chakrabarti
• [Wien] Band gap not matching with materials project data   Peter Blaha
• [Wien] Band gap not matching with materials project data   shamik chakrabarti
• [Wien] Band gap not matching with materials project data   Peter Blaha
• [Wien] Band gap not matching with materials project data   shamik chakrabarti
• [Wien] Band gap not matching with materials project data   shamik chakrabarti
• [Wien] Large band gap in Graphite with HSE06   shamik chakrabarti
• [Wien] Large band gap in Graphite with HSE06   shamik chakrabarti
• [Wien] Issues with ifort and MKL while installing on Red Hat   Brandon Gunn
• [Wien] lapw1 vs lapwso speed   pluto
• [Wien] lapw1 vs lapwso speed   sjalali at sci.ui.ac.ir
• [Wien] lapw1 vs lapwso speed   Peter Blaha
• [Wien] lapw1 vs lapwso speed   Yundi Quan
• [Wien] lapw1 vs lapwso speed   Laurence Marks
• [Wien] lapw1 vs lapwso speed   Peter Blaha
• [Wien] STOP SPHBES - Error   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] STOP SPHBES - Error   Peter Blaha
• [Wien] Compile linking errors   Victor Zenou
• [Wien] Compile linking errors   Peter Blaha
• [Wien] Compile linking errors   Victor Zenou
• [Wien] Compile linking errors   Victor Zenou
• [Wien] Compile linking errors   Peter Blaha
• [Wien] Constrained DFT for excited state calculations   Seyed Javad Hashemifar
• [Wien] Constrained DFT for excited state calculations   Yundi Quan
• [Wien] Constrained DFT for excited state calculations   Laurence Marks
• [Wien] Constrained DFT for excited state calculations   Peter Blaha
• [Wien] Constrained DFT for excited state calculations   Seyed Javad Hashemifar
• [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.   Pranjal Nandi
• [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.   Laurence Marks
• [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.   Peter Blaha
• [Wien] lapw1 vs lapwso speed   pluto
• [Wien] Strategy for a large slab with SP and SOC   pluto
• [Wien] Extraction of atomic sphere potential   Artem Tarasov
• [Wien] Strategy for a large slab with SP and SOC   Peter Blaha
• [Wien] Extraction of atomic sphere potential   Laurence Marks
• [Wien] Extraction of atomic sphere potential   Peter Blaha
• [Wien] Extraction of atomic sphere potential   Artem Tarasov
• [Wien] Strategy for a large slab with SP and SOC   pluto
• [Wien] Extraction of atomic sphere potential   Peter Blaha
• [Wien] Strategy for a large slab with SP and SOC   Peter Blaha
• [Wien] Strategy for a large slab with SP and SOC   Laurence Marks
• [Wien] Extraction of atomic sphere potential   Artem Tarasov
• [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2   髙村仁
• [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2   Peter Blaha
• [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2   髙村仁
• [Wien] Strategy for a large slab with SP and SOC   pluto
• [Wien] Calculation of surface state using lmbj potential with SO coupling.   Burhan Ahmed
• [Wien] Calculation of surface state using lmbj potential with SO coupling.   Laurence Marks
• [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.   Pranjal Nandi
• [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.   Peter Blaha
• [Wien] ** testerror: Error in Parallel LAPW   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] ** testerror: Error in Parallel LAPW   Peter Blaha
• [Wien] Calculation of surface state using lmbj potential with SO coupling.   Burhan Ahmed
• [Wien] Calculation of surface state using lmbj potential with SO coupling.   Laurence Marks
• [Wien] Calculation of surface state using lmbj potential with SO coupling.   Laurence Marks
• [Wien] Calculation of surface state using lmbj potential with SO coupling.   Peter Blaha
• [Wien] calculation of surface/slab using lmbj potential   Burhan Ahmed
• [Wien] calculation of surface/slab using lmbj potential   Peter Blaha
• [Wien] calculation of surface/slab using lmbj potential   Burhan Ahmed
• [Wien] ** testerror: Error in Parallel LAPW   pluto
• [Wien] calculation of surface/slab using lmbj potential   Peter Blaha
• [Wien] ** testerror: Error in Parallel LAPW   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] Difference in DOS and BAND graphics   Hülya Gürçay
• [Wien] ** testerror: Error in Parallel LAPW   Gavin Abo
• [Wien] ** testerror: Error in Parallel LAPW   Peter Blaha
• [Wien] Difference in DOS and BAND graphics   Peter Blaha
• [Wien] Difference in DOS and BAND graphics   Hülya Gürçay
• [Wien] Difference in DOS and BAND graphics   Hülya Gürçay
• [Wien] upgradation of wien2k   Burhan Ahmed
• [Wien] Difference in DOS and BAND graphics   Peter Blaha
• [Wien] hf error -monolayer   Brik Hamida
• [Wien] hf error -monolayer   fabien.tran at vasp.at
• [Wien] hf error -monolayer   Brik Hamida
• [Wien] hf error -monolayer   Brik Hamida
• [Wien] ** testerror: Error in Parallel LAPW   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] ** testerror: Error in Parallel LAPW   pluto
• [Wien] ** testerror: Error in Parallel LAPW   Laurence Marks
• [Wien] ** testerror: Error in Parallel LAPW   Peter Blaha
• [Wien] hf error -monolayer   Peter Blaha
• [Wien] Fwd: x spaghetti error   karina Khan
• [Wien] Fwd: x spaghetti error   Peter Blaha
• [Wien] hf error -monolayer   fabien.tran at vasp.at
• [Wien] hf error -monolayer   Brik Hamida
• [Wien] hf error -monolayer   Gavin Abo
• [Wien] hf error -monolayer   Brik Hamida
• [Wien] 323 atoms, no symmetry ... is it doable ?   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] 323 atoms, no symmetry ... is it doable ?   Laurence Marks
• [Wien] hf error -monolayer   Gavin Abo
• [Wien] 323 atoms, no symmetry ... is it doable ?   Peter Blaha
• [Wien] error in nlvdw   shamik chakrabarti
• [Wien] error in nlvdw   Peter Blaha
• [Wien] error in nlvdw   shamik chakrabarti
• [Wien] error in nlvdw   shamik chakrabarti
• [Wien] error in nlvdw   Peter Blaha
• [Wien] error in nlvdw   fabien.tran at vasp.at
• [Wien] error in nlvdw   shamik chakrabarti
• [Wien] WARNING elpa_setup during lapw1_mpi   Ilias Miroslav, doc. RNDr., PhD.
• [Wien] WARNING elpa_setup during lapw1_mpi   Laurence Marks

Last message date: Wed Jun 28 23:21:06 CEST 2023
Archived on: Wed Jun 28 23:21:33 CEST 2023

• Messages sorted by: [ thread ] [ subject ] [ author ]
• More info on this list...