Messages by Date
-
2023/08/23
Re: [Wien] calLa_Pre WIEN2k
morteza jamal via Wien
-
2023/08/23
Re: [Wien] How to get "klist file" for orthorhombic P structure
Gavin Abo
-
2023/08/23
[Wien] How to get "klist file" for orthorhombic P structure
Chang, Hong Young
-
2023/08/23
Re: [Wien] Speeding up calculations in parallel mose
Gavin Abo
-
2023/08/22
Re: [Wien] Volume optimization and Eloss function.
Gavin Abo
-
2023/08/22
Re: [Wien] Speeding up calculations in parallel mose
Victor Zenou
-
2023/08/22
Re: [Wien] Volume optimization and Eloss function.
Pranjal Nandi
-
2023/08/22
[Wien] slab calculation with lmbj potential
Burhan Ahmed
-
2023/08/22
Re: [Wien] Speeding up calculations in parallel mose
Laurence Marks
-
2023/08/22
Re: [Wien] Speeding up calculations in parallel mose
Pavel Ondračka
-
2023/08/22
[Wien] Speeding up calculations in parallel mose
Victor Zenou
-
2023/08/21
Re: [Wien] SOC value \zeta
Samolyuk, German D. via Wien
-
2023/08/20
Re: [Wien] Plotting the radial part of wave function
reyhaneh ebrahimi
-
2023/08/18
Re: [Wien] SOC value \zeta
Fecher, Gerhard
-
2023/08/17
Re: [Wien] Volume optimization and Eloss function.
Gavin Abo
-
2023/08/17
[Wien] Volume optimization and Eloss function.
Pranjal Nandi
-
2023/08/17
Re: [Wien] SOC value \zeta
Samolyuk, German D. via Wien
-
2023/08/17
Re: [Wien] Plotting the radial part of wave function
Peter Blaha
-
2023/08/17
Re: [Wien] Plotting the radial part of wave function
reyhaneh ebrahimi
-
2023/08/17
Re: [Wien] XCrySDen
Tone Kokalj
-
2023/08/16
[Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/08/16
Re: [Wien] SOC value \zeta
Fecher, Gerhard
-
2023/08/16
Re: [Wien] SOC value \zeta
Peter Blaha
-
2023/08/16
Re: [Wien] SOC value \zeta
Gavin Abo
-
2023/08/16
[Wien] SOC value \zeta
Samolyuk, German D. via Wien
-
2023/08/16
Re: [Wien] Plotting the radial part of wave function
Peter Blaha
-
2023/08/14
[Wien] Plotting the radial part of wave function
reyhaneh ebrahimi
-
2023/08/09
[Wien] XCrySDen
delamora
-
2023/08/09
Re: [Wien] Clean_lapw before increasing number of k points in HSE06 calculation
shamik chakrabarti
-
2023/08/08
Re: [Wien] Clean_lapw before increasing number of k points in HSE06 calculation
fabien . tran
-
2023/08/08
Re: [Wien] error in doing bandstructure cal
Neetu Malik
-
2023/08/08
Re: [Wien] error in doing bandstructure cal
Peter Blaha
-
2023/08/08
[Wien] error in doing bandstructure cal
Neetu Malik
-
2023/08/08
[Wien] Clean_lapw before increasing number of k points in HSE06 calculation
shamik chakrabarti
-
2023/08/08
Re: [Wien] hf error -monolayer
Peter Blaha
-
2023/08/07
Re: [Wien] hf error -monolayer
Brik Hamida
-
2023/08/07
Re: [Wien] hf error -monolayer
Peter Blaha
-
2023/08/07
Re: [Wien] hf error -monolayer
Brik Hamida
-
2023/08/04
Re: [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2
shamik chakrabarti
-
2023/08/04
Re: [Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2
fabien . tran
-
2023/08/04
[Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2
shamik chakrabarti
-
2023/08/03
[Wien] new tool for Transport with WIEN2k: LinReTraCe
Peter Blaha
-
2023/07/30
Re: [Wien] Exc for Chalcogenides
shamik chakrabarti
-
2023/07/30
Re: [Wien] Exc for Chalcogenides
fabien . tran
-
2023/07/29
[Wien] Exc for Chalcogenides
shamik chakrabarti
-
2023/07/29
Re: [Wien] Unable to finish init_lapw. X patchsymm is also not helping.
Peter Blaha
-
2023/07/28
Re: [Wien] Unable to finish init_lapw. X patchsymm is also not helping.
Pranjal Nandi
-
2023/07/28
Re: [Wien] Unable to finish init_lapw. X patchsymm is also not helping.
Peter Blaha
-
2023/07/28
[Wien] Unable to finish init_lapw. X patchsymm is also not helping.
Pranjal Nandi
-
2023/07/28
Re: [Wien] changed space group of doped supercell
Ashwani Kumar
-
2023/07/27
Re: [Wien] hf error -monolayer
Peter Blaha
-
2023/07/27
Re: [Wien] hf error -monolayer
Brik Hamida
-
2023/07/27
Re: [Wien] changed space group of doped supercell
Laurence Marks
-
2023/07/27
Re: [Wien] changed space group of doped supercell
Ashwani Kumar
-
2023/07/27
Re: [Wien] changed space group of doped supercell
Peter Blaha
-
2023/07/27
Re: [Wien] calculation with lmbj potential
fabien . tran
-
2023/07/27
[Wien] changed space group of doped supercell
Ashwani Kumar
-
2023/07/26
Re: [Wien] Constrained DFT for excited state calculations
Guoping Zhang
-
2023/07/26
Re: [Wien] Confirming Chern z2 topological invariants using BerryPhase
Rubel, Oleg
-
2023/07/26
[Wien] Confirming Chern z2 topological invariants using BerryPhase
Burhan Ahmed
-
2023/07/26
Re: [Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/07/24
Re: [Wien] hf error -monolayer
Peter Blaha
-
2023/07/24
[Wien] hf error -monolayer
Brik Hamida
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Laurence Marks
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Peter Blaha
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Peter Blaha
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Peter Blaha
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Peter Blaha
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/07/24
Re: [Wien] calculation with lmbj potential
fabien . tran
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/07/24
Re: [Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/07/24
Re: [Wien] calculation with lmbj potential
fabien . tran
-
2023/07/22
Re: [Wien] calculation with lmbj potential
Laurence Marks
-
2023/07/21
[Wien] calculation with lmbj potential
Burhan Ahmed
-
2023/07/21
Re: [Wien] lapw0.def failed
Gavin Abo
-
2023/07/21
Re: [Wien] lapw0.def failed
Laurence Marks
-
2023/07/21
Re: [Wien] lapw0.def failed
Brik Hamida
-
2023/07/20
Re: [Wien] System Error....Couldn't write to/.
Gavin Abo
-
2023/07/20
Re: [Wien] System Error....Couldn't write to/.
karina Khan
-
2023/07/20
Re: [Wien] lapw0.def failed
Gavin Abo
-
2023/07/20
Re: [Wien] System Error....Couldn't write to/.
Gavin Abo
-
2023/07/20
Re: [Wien] lapw0.def failed
Laurence Marks
-
2023/07/20
Re: [Wien] lapw0.def failed
Brik Hamida
-
2023/07/20
Re: [Wien] lapw0.def failed
Laurence Marks
-
2023/07/20
Re: [Wien] lapw0.def failed
Brik Hamida
-
2023/07/20
Re: [Wien] lapw0.def failed
Laurence Marks
-
2023/07/20
Re: [Wien] lapw0.def failed
Brik Hamida
-
2023/07/19
Re: [Wien] lapw0.def failed
Gavin Abo
-
2023/07/19
Re: [Wien] lapw0.def failed
Laurence Marks
-
2023/07/19
[Wien] lapw0.def failed
Brik Hamida
-
2023/07/17
Re: [Wien] WIEN2k 23.2
delamora
-
2023/07/17
Re: [Wien] WIEN2k 23.2
Laurence Marks
-
2023/07/17
[Wien] WIEN2k 23.2
delamora
-
2023/07/17
Re: [Wien] running with Hubbard U
delamora
-
2023/07/17
Re: [Wien] running with Hubbard U
Laurence Marks
-
2023/07/17
Re: [Wien] running with Hubbard U
delamora
-
2023/07/17
Re: [Wien] core states in spin-polarized calculations and the open-core method
Peter Blaha
-
2023/07/17
Re: [Wien] core states in spin-polarized calculations and the open-core method
Laurence Marks
-
2023/07/17
[Wien] core states in spin-polarized calculations and the open-core method
Jindrich Kolorenc
-
2023/07/16
Re: [Wien] running with Hubbard U
Laurence Marks
-
2023/07/16
Re: [Wien] running with Hubbard U
delamora
-
2023/07/14
Re: [Wien] System Error....Couldn't write to/.
Gavin Abo
-
2023/07/14
Re: [Wien] System Error....Couldn't write to/.
karina Khan
-
2023/07/14
Re: [Wien] System Error....Couldn't write to/.
Laurence Marks
-
2023/07/14
Re: [Wien] System Error....Couldn't write to/.
karina Khan
-
2023/07/13
Re: [Wien] some error occur during scf calculation
Gavin Abo
-
2023/07/13
[Wien] some error occur during scf calculation
Rao Shruti Arya
-
2023/07/13
Re: [Wien] GHOST BANDS error
Natalia Andreeva
-
2023/07/13
Re: [Wien] System Error....Couldn't write to/.
Peter Blaha
-
2023/07/13
Re: [Wien] System Error....Couldn't write to/.
Peter Blaha
-
2023/07/13
[Wien] System Error....Couldn't write to/.
karina Khan
-
2023/07/13
Re: [Wien] GHOST BANDS error
fabien . tran
-
2023/07/12
Re: [Wien] running with Hubbard U
Peter Blaha
-
2023/07/12
Re: [Wien] running with Hubbard U
delamora
-
2023/07/12
Re: [Wien] running with Hubbard U
Peter Blaha
-
2023/07/11
[Wien] running with Hubbard U
delamora
-
2023/07/08
Re: [Wien] GHOST BANDS error
Natalia Andreeva
-
2023/07/08
Re: [Wien] GHOST BANDS error
Peter Blaha
-
2023/07/08
Re: [Wien] GHOST BANDS error
Natalia Andreeva
-
2023/07/07
Re: [Wien] GHOST BANDS error
Peter Blaha
-
2023/07/07
[Wien] GHOST BANDS error
Natalia Andreeva
-
2023/07/04
Re: [Wien] xxmr2d:out of memory / estimate memory consumption
Peter Blaha
-
2023/07/04
Re: [Wien] WARNING elpa_setup during lapw1_mpi
Peter Blaha
-
2023/07/04
Re: [Wien] WARNING elpa_setup during lapw1_mpi
Gavin Abo
-
2023/07/04
Re: [Wien] xxmr2d:out of memory / estimate memory consumption
Ilias, Miroslav
-
2023/07/04
Re: [Wien] WARNING elpa_setup during lapw1_mpi
Ilias, Miroslav
-
2023/07/04
Re: [Wien] xxmr2d:out of memory / estimate memory consumption
Laurence Marks
-
2023/07/04
Re: [Wien] WARNING elpa_setup during lapw1_mpi
Laurence Marks
-
2023/07/04
[Wien] xxmr2d:out of memory / estimate memory consumption
Ilias, Miroslav
-
2023/07/04
Re: [Wien] WARNING elpa_setup during lapw1_mpi
Ilias, Miroslav
-
2023/06/30
Re: [Wien] Extraction of atomic sphere potential
Peter Blaha
-
2023/06/30
Re: [Wien] Extraction of atomic sphere potential
Artem Tarasov via Wien
-
2023/06/28
Re: [Wien] WARNING elpa_setup during lapw1_mpi
Laurence Marks
-
2023/06/28
[Wien] WARNING elpa_setup during lapw1_mpi
Ilias Miroslav, doc. RNDr., PhD.
-
2023/06/27
Re: [Wien] error in nlvdw
shamik chakrabarti
-
2023/06/27
Re: [Wien] error in nlvdw
fabien . tran
-
2023/06/26
Re: [Wien] error in nlvdw
Peter Blaha
-
2023/06/26
Re: [Wien] error in nlvdw
shamik chakrabarti
-
2023/06/26
Re: [Wien] error in nlvdw
shamik chakrabarti
-
2023/06/26
Re: [Wien] error in nlvdw
Peter Blaha
-
2023/06/26
[Wien] error in nlvdw
shamik chakrabarti
-
2023/06/26
Re: [Wien] 323 atoms, no symmetry ... is it doable ?
Peter Blaha
-
2023/06/25
Re: [Wien] hf error -monolayer
Gavin Abo
-
2023/06/25
Re: [Wien] 323 atoms, no symmetry ... is it doable ?
Laurence Marks
-
2023/06/25
[Wien] 323 atoms, no symmetry ... is it doable ?
Ilias Miroslav, doc. RNDr., PhD.
-
2023/06/24
Re: [Wien] hf error -monolayer
Brik Hamida
-
2023/06/22
Re: [Wien] hf error -monolayer
Gavin Abo
-
2023/06/22
Re: [Wien] hf error -monolayer
Brik Hamida
-
2023/06/22
Re: [Wien] hf error -monolayer
fabien . tran
-
2023/06/22
Re: [Wien] Fwd: x spaghetti error
Peter Blaha
-
2023/06/22
[Wien] Fwd: x spaghetti error
karina Khan
-
2023/06/21
Re: [Wien] hf error -monolayer
Peter Blaha
-
2023/06/21
Re: [Wien] ** testerror: Error in Parallel LAPW
Peter Blaha
-
2023/06/21
Re: [Wien] ** testerror: Error in Parallel LAPW
Laurence Marks
-
2023/06/21
Re: [Wien] ** testerror: Error in Parallel LAPW
pluto via Wien
-
2023/06/21
Re: [Wien] ** testerror: Error in Parallel LAPW
Ilias Miroslav, doc. RNDr., PhD.
-
2023/06/21
Re: [Wien] hf error -monolayer
Brik Hamida
-
2023/06/21
Re: [Wien] hf error -monolayer
Brik Hamida
-
2023/06/21
Re: [Wien] hf error -monolayer
fabien . tran
-
2023/06/21
[Wien] hf error -monolayer
Brik Hamida
-
2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Peter Blaha
-
2023/06/21
Re: [Wien] upgradation of wien2k
Burhan Ahmed
-
2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Hülya Gürçay
-
2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Hülya Gürçay
-
2023/06/21
Re: [Wien] Difference in DOS and BAND graphics
Peter Blaha
-
2023/06/21
Re: [Wien] ** testerror: Error in Parallel LAPW
Peter Blaha
-
2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
Gavin Abo
-
2023/06/20
[Wien] Difference in DOS and BAND graphics
Hülya Gürçay
-
2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
Ilias Miroslav, doc. RNDr., PhD.
-
2023/06/20
Re: [Wien] calculation of surface/slab using lmbj potential
Peter Blaha
-
2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
pluto via Wien
-
2023/06/20
Re: [Wien] calculation of surface/slab using lmbj potential
Burhan Ahmed
-
2023/06/20
Re: [Wien] calculation of surface/slab using lmbj potential
Peter Blaha
-
2023/06/20
[Wien] calculation of surface/slab using lmbj potential
Burhan Ahmed
-
2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Peter Blaha
-
2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Laurence Marks
-
2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Laurence Marks
-
2023/06/20
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Burhan Ahmed
-
2023/06/20
Re: [Wien] ** testerror: Error in Parallel LAPW
Peter Blaha
-
2023/06/20
[Wien] ** testerror: Error in Parallel LAPW
Ilias Miroslav, doc. RNDr., PhD.
-
2023/06/20
Re: [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.
Peter Blaha
-
2023/06/20
Re: [Wien] Requesting gentle clarification on OMP_NUM_THREADS, run_lapw, volume optimisation and wien2k update.
Pranjal Nandi
-
2023/06/19
Re: [Wien] Calculation of surface state using lmbj potential with SO coupling.
Laurence Marks
-
2023/06/19
[Wien] Calculation of surface state using lmbj potential with SO coupling.
Burhan Ahmed
-
2023/06/19
Re: [Wien] Strategy for a large slab with SP and SOC
pluto via Wien
-
2023/06/18
Re: [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2
髙村仁
-
2023/06/18
Re: [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2
Peter Blaha
-
2023/06/18
[Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2
髙村仁
-
2023/06/17
Re: [Wien] Extraction of atomic sphere potential
Artem Tarasov via Wien
-
2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
Laurence Marks
-
2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
Peter Blaha
-
2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Peter Blaha
-
2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
pluto via Wien
-
2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Artem Tarasov via Wien
-
2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Peter Blaha
-
2023/06/16
Re: [Wien] Extraction of atomic sphere potential
Laurence Marks
-
2023/06/16
Re: [Wien] Strategy for a large slab with SP and SOC
Peter Blaha