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[Wien] Basic Question on ELNES.
Pranjal Nandi
[Wien] Verifying if the ghostbands still exists or not (no error received).
Pranjal Nandi
Re: [Wien] Verifying if the ghostbands still exists or not (no error received).
Peter Blaha
Re: [Wien] Verifying if the ghostbands still exists or not (no error received).
Pranjal Nandi
[Wien] Query regarding settings of Rmt*Kmax
shamik chakrabarti
Re: [Wien] Query regarding settings of Rmt*Kmax
Peter Blaha
Re: [Wien] Query regarding settings of Rmt*Kmax
shamik chakrabarti
[Wien] Inconsistency in kgen
巴拉比 via Wien
Re: [Wien] Inconsistency in kgen
Peter Blaha
Re: [Wien] Inconsistency in kgen
balabi via Wien
Re: [Wien] Inconsistency in kgen
Peter Blaha
Re: [Wien] Inconsistency in kgen
balabi via Wien
[Wien] Requesting your help in "running qtl in parallel mode"
Pranjal Nandi
Re: [Wien] Requesting your help in "running qtl in parallel mode"
Peter Blaha
Re: [Wien] Requesting your help in "running qtl in parallel mode"
Gavin Abo
[Wien] Error in optimization
Neetu Malik
Re: [Wien] Error in optimization
Gavin Abo
Re: [Wien] Error in optimization
Peter Blaha
[Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Peter Blaha
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Peter Blaha
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Peter Blaha
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
[Wien] total energy
Douglas Barlow via Wien
Re: [Wien] total energy
Karel Vyborny
[Wien] DFTD4
Laurence Marks
Re: [Wien] DFTD4
Laurence Marks
[Wien] BoltzTrap-electronic thermal conductivity
Bara abujafar via Wien
Re: [Wien] BoltzTrap-electronic thermal conductivity
Gavin Abo
[Wien] Few questions about onsite hybrids and so
Pavel Ondračka
Re: [Wien] Few questions about onsite hybrids and so
Laurence Marks
Re: [Wien] Few questions about onsite hybrids and so
Pavel Ondračka
Re: [Wien] Few questions about onsite hybrids and so
Laurence Marks
Re: [Wien] Few questions about onsite hybrids and so
Pavel Ondračka
Re: [Wien] Few questions about onsite hybrids and so
Peter Blaha
Re: [Wien] Few questions about onsite hybrids and so
Pavel Ondračka
[Wien] Wannier
pluto via Wien
Re: [Wien] Wannier
Rubel, Oleg
Re: [Wien] Wannier
Peter Blaha
Re: [Wien] Wannier
pluto via Wien
Re: [Wien] Wannier
Peter Blaha
Re: [Wien] Wannier
Mikhail Nestoklon via Wien
[Wien] Error-Missing Header
evren görkem özdemir
Re: [Wien] Error-Missing Header
Gavin Abo
[Wien] Error in HF calculation
shamik chakrabarti
Re: [Wien] Error in HF calculation
fabien . tran
Re: [Wien] Error in HF calculation
shamik chakrabarti
[Wien] DOS with Spin-orbit coupling
susanta mohanta
Re: [Wien] DOS with Spin-orbit coupling
Peter Blaha
Re: [Wien] DOS with Spin-orbit coupling
susanta mohanta
[Wien] NbNiO3 antiferromagnetic
delamora
Re: [Wien] NbNiO3 antiferromagnetic
Peter Blaha
Re: [Wien] NbNiO3 antiferromagnetic
delamora
[Wien] Graphene + M
delamora
Re: [Wien] Graphene + M
Laurence Marks
Re: [Wien] Graphene + M
delamora
Re: [Wien] Graphene + M
Laurence Marks
[Wien] How to assign kz to slab bands?
pluto via Wien
Re: [Wien] How to assign kz to slab bands?
Peter Blaha
Re: [Wien] How to assign kz to slab bands?
pluto via Wien
Re: [Wien] How to assign kz to slab bands?
Peter Blaha
Re: [Wien] How to assign kz to slab bands?
Rubel, Oleg
[Wien] Graphene + M
delamora
Re: [Wien] Graphene + M
Laurence Marks
Re: [Wien] Graphene + M
Lyudmila Dobysheva via Wien
[Wien] ABNiO_4
delamora
Re: [Wien] ABNiO_4
Laurence Marks
Re: [Wien] ABNiO_4
Peter Blaha
Re: [Wien] ABNiO_4
delamora
[Wien] Sub: Regarding determination of optical constants and their plotting by using wien2k
K.S. Sharma
Re: [Wien] Sub: Regarding determination of optical constants and their plotting by using wien2k
Peter Blaha
[Wien] WIEN2k fails to run: "TiC.clmsum no such file"
Douglas Barlow via Wien
Re: [Wien] WIEN2k fails to run: "TiC.clmsum no such file"
Peter Blaha
Re: [Wien] WIEN2k fails to run: "TiC.clmsum no such file"
Karel Vyborny
[Wien] .clmsum file question
Douglas Barlow via Wien
Re: [Wien] .clmsum file question
Peter Blaha
[Wien] Empty orbital band character in case.qtl
ANDRES GOMEZ BASTIDAS
Re: [Wien] Empty orbital band character in case.qtl
Peter Blaha
[Wien] Intels Oneapi 2024: Compiler bug ?
Peter Blaha
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Jan Doumont
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Jan Doumont
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Laurence Marks
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Michael Fechtelkord via Wien
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Laurence Marks
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Peter Blaha
[Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom
Michael Fechtelkord via Wien
Re: [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom
Peter Blaha
[Wien] Atomic muffin tin potential output
pluto via Wien
Re: [Wien] Atomic muffin tin potential output
Peter Blaha
Re: [Wien] Atomic muffin tin potential output
Fecher, Gerhard
Re: [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom
Michael Fechtelkord via Wien
[Wien] Slurm with omp/mpi
Laurence Marks
[Wien] lapw1.def failed
shamik chakrabarti
Re: [Wien] lapw1.def failed
Lyudmila Dobysheva via Wien
Re: [Wien] lapw1.def failed
Fecher, Gerhard
Re: [Wien] lapw1.def failed
shamik chakrabarti
Re: [Wien] lapw1.def failed
Gavin Abo
[Wien] Slurm + Intel impi
Laurence Marks
[Wien] effective mass calculation using mstar
Burhan Ahmed
Re: [Wien] effective mass calculation using mstar
Rubel, Oleg
Re: [Wien] effective mass calculation using mstar
Rubel, Oleg
Re: [Wien] effective mass calculation using mstar
Burhan Ahmed
Re: [Wien] effective mass calculation using mstar
Rubel, Oleg
Re: [Wien] effective mass calculation using mstar
Burhan Ahmed
[Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
[Wien] Volume optimization of Sulfur
shamik chakrabarti
Re: [Wien] Volume optimization of Sulfur
pboulet
Re: [Wien] Volume optimization of Sulfur
shamik chakrabarti
[Wien] YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
Re: [Wien] YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Peter Blaha
Re: [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co
Samolyuk, German D. via Wien
[Wien] Ifort compiler error for wplot for newest one api Version 2024.0
Michael Fechtelkord via Wien
[Wien] Cholesky error in slab structure
Natalia Andreeva
Re: [Wien] Cholesky error in slab structure
Peter Blaha
[Wien] lapwso segfault
Mikhail Nestoklon via Wien
Re: [Wien] lapwso segfault
Peter Blaha
[Wien] Berrypi Error
shahrbano rahimi
Re: [Wien] Berrypi Error
Rubel, Oleg
Re: [Wien] Berrypi Error
Rubel, Oleg
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm invalid pointer error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Gavin Abo
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
Re: [Wien] WIENncm installation error
Fecher, Gerhard
Re: [Wien] WIENncm installation error
Safikul Islam
Re: [Wien] WIENncm installation error
Peter Blaha
[Wien] Problem in All compilation
Shahid Mahmood Chaudhry via Wien
Re: [Wien] Problem in All compilation
Gavin Abo
Re: [Wien] Problem in All compilation
Shahid Mahmood Chaudhry via Wien
Re: [Wien] Problem in All compilation
Peter Blaha
[Wien] Using WIEN2K with spack
Sidney Pendelberry via Wien
[Wien] Error in bandstructure using x spaghetti
夏宇阳
Re: [Wien] Error in bandstructure using x spaghetti
Peter Blaha
[Wien] Parallel LAPW1 job suspended without any error message
heungsikim
Re: [Wien] Parallel LAPW1 job suspended without any error message
Peter Blaha
[Wien] wien2k workshop
Peter Blaha
[Wien] wien2k workshop
Peter Blaha
Re: [Wien] wien2k workshop
Israel Omar Perez Lopez
[Wien] wien2k workshop
Peter Blaha
Re: [Wien] wien2k workshop
Chukwuemeka Okoye
[Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Laurence Marks
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Peter Blaha
Re: [Wien] semicore band ranges too large error: for MoSi2N4
hajar.nejatipoor--- via Wien
Re: [Wien] semicore band ranges too large error: for MoSi2N4
Gavin Abo
[Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
[Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Michael Fechtelkord via Wien
Re: [Wien] [WIEN2k] forrtl IO error in x_nmr_lapw for Heavy metal structures (TlF3, HgF2)
Peter Blaha
Re: [Wien] CuO crash
Peter Blaha
[Wien] Request to add my email to the WIEN2k mail list
RAKESH DAS
[Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Peter Blaha
[Wien] Re-converge with smaller Ecut
pluto via Wien
Re: [Wien] Re-converge with smaller Ecut
Peter Blaha
[Wien] Speed of cluster nodes
pluto via Wien
Re: [Wien] Speed of cluster nodes
Peter Blaha
Re: [Wien] Speed of cluster nodes
pluto via Wien
Re: [Wien] Speed of cluster nodes
Peter Blaha
Re: [Wien] WIEN2k-3233
Burhan Ahmed
[Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Lyudmila Dobysheva via Wien
Re: [Wien] WIEN2k-3233
Safae Benyoussef
Re: [Wien] WIEN2k-3233
Laurence Marks
Re: [Wien] WIEN2k-3233
Peter Blaha
Re: [Wien] WIEN2k-3233
Lyudmila Dobysheva via Wien
Earlier messages