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[Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
Re: [Wien] Query regarding wien2k_scratch directory
Peter Blaha
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
Re: [Wien] Query regarding wien2k_scratch directory
Peter Blaha
Re: [Wien] Query regarding wien2k_scratch directory
Tomas Kana
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
[Wien] band character plotting with eece
Pavel Ondračka
Re: [Wien] band character plotting with eece
Peter Blaha
[Wien] Warning during x symmetry
shamik chakrabarti
Re: [Wien] Warning during x symmetry
Fecher, Gerhard
Re: [Wien] Warning during x symmetry
Peter Blaha
[Wien] w2web xcrysden problem
Straus, Daniel B
Re: [Wien] w2web xcrysden problem
Gavin Abo
Re: [Wien] w2web xcrysden problem
Straus, Daniel B
[Wien] Enquiry on the core hole method for optics.
Pranjal Nandi
[Wien] SLURM cluster issues
Straus, Daniel B
Re: [Wien] SLURM cluster issues
Peter Blaha
Re: [Wien] SLURM cluster issues
Straus, Daniel B
[Wien] Question of bad E(TOP) with no error
夏宇阳
Re: [Wien] Question of bad E(TOP) with no error
Peter Blaha
Re: [Wien] Question of bad E(TOP) with no error
夏宇阳
Re: [Wien] Question of bad E(TOP) with no error
Peter Blaha
Re: [Wien] Question of bad E(TOP) with no error
夏宇阳
Re: [Wien] Question of bad E(TOP) with no error
Peter Blaha
[Wien] 回复: error in exercise 6(MgO surface slab)
harri...@sjtu.edu.cn
Re: [Wien] 回复: error in exercise 6(MgO surface slab)
Peter Blaha
Re: [Wien] error in exercise 6(MgO surface slab)
Rubel, Oleg
Re: [Wien] error in exercise 6(MgO surface slab)
夏宇阳
Re: [Wien] error in exercise 6(MgO surface slab)
Rubel, Oleg
[Wien] 回复: error in exercise 6(MgO surface slab)
harri...@sjtu.edu.cn
Re: [Wien] error in exercise 6(MgO surface slab)
Rubel, Oleg
Re: [Wien] error in exercise 6(MgO surface slab)
夏宇阳
Re: [Wien] error in exercise 6(MgO surface slab)
Peter Blaha
Re: [Wien] error in exercise 6(MgO surface slab)
夏宇阳
[Wien] error in exercise 6(MgO surface slab)
夏宇阳
Re: [Wien] error in exercise 6(MgO surface slab)
Peter Blaha
Re: [Wien] error in exercise 6(MgO surface slab)
Lyudmila Dobysheva via Wien
[Wien] how to choose the band indices in init_w2w of a parallel spin-polarized calculation
夏宇阳
Re: [Wien] how to choose the band indices in init_w2w of a parallel spin-polarized calculation
Rubel, Oleg
[Wien] Error in GGA + So noncollinear magnetic structure calculations in WIENncm
Safikul Islam
[Wien] Bug / odd behavior: Can't change some of the session information
Per-Anders Glans-Suzuki
Re: [Wien] Bug / odd behavior: Can't change some of the session information
Peter Blaha
[Wien] Query regarding BVS
shamik chakrabarti
[Wien] Plot sp bandstructure
harri...@sjtu.edu.cn
[Wien] error in lapw1
夏宇阳
Re: [Wien] error in lapw1
Peter Blaha
Re: [Wien] error in lapw1
夏宇阳
Re: [Wien] error in lapw1
Peter Blaha
[Wien] 回复: Question in optimizing the position of a ferromagnetic material
harri...@sjtu.edu.cn
Re: [Wien] 回复: Question in optimizing the position of a ferromagnetic material
Lyudmila Dobysheva via Wien
[Wien] Question in optimizing the position of a ferromagnetic material
harri...@sjtu.edu.cn
Re: [Wien] Question in optimizing the position of a ferromagnetic material
Peter Blaha
[Wien] Cholesky in supercell
Natalia Andreeva
Re: [Wien] Cholesky in supercell
Laurence Marks
Re: [Wien] Cholesky in supercell
Natalia Andreeva
Re: [Wien] Cholesky in supercell
Laurence Marks
Re: [Wien] Cholesky in supercell
Natalia Andreeva
Re: [Wien] Cholesky in supercell
Laurence Marks
Re: [Wien] Cholesky in supercell
Peter Blaha
[Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Pranjal Nandi
Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Peter Blaha
Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Pranjal Nandi
Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Pranjal Nandi
[Wien] Problem with dielectric function
Hamza BFA
Re: [Wien] Problem with dielectric function
Peter Blaha
Re: [Wien] Problem with dielectric function
Hamza BFA
Re: [Wien] Problem with dielectric function
Peter Blaha
Re: [Wien] Problem with dielectric function
Hamza BFA
[Wien] Chern Number calculation
Burhan Ahmed
[Wien] Possible reasons for not getting plasma frequency.
Pranjal Nandi
[Wien] Basic question of convergence of structure
shamik chakrabarti
Re: [Wien] Basic question of convergence of structure
Laurence Marks
Re: [Wien] Basic question of convergence of structure
shamik chakrabarti
Re: [Wien] Basic question of convergence of structure
shamik chakrabarti
[Wien] Basic Question on ELNES.
Pranjal Nandi
Re: [Wien] Basic Question on ELNES.
Fecher, Gerhard
[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
Re: [Wien] Inconsistency in kgen
balabi 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
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
Re: [Wien] Inconsistency in kgen
Peter Blaha
Re: [Wien] Inconsistency in kgen
balabi via Wien
Re: [Wien] Inconsistency in kgen
balabi via Wien
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
pluto via Wien
Re: [Wien] Wannier
Fecher, Gerhard
Re: [Wien] Wannier
pluto via Wien
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
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