Messages by Date
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2024/05/04
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Peter Blaha
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2024/05/04
[Wien] Installation of Wien2k_23.2
shamik chakrabarti
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2024/05/04
[Wien] (no subject)
shamik chakrabarti
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2024/05/04
[Wien] Error in IRelast initialization for tetragonal structure | too many arguments
Dr . KISHOR KUMAR डॉ . किशोर कुमार
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2024/05/04
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Pranjal Nandi
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2024/05/04
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
fabien . tran
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2024/05/04
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Pranjal Nandi
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2024/05/04
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
fabien . tran
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2024/05/04
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Pranjal Nandi
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2024/05/03
Re: [Wien] error in x wplot -wf
Peter Blaha
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2024/05/03
Re: [Wien] Optics/x joint working only with prec 1 and NOT with prec 2.
Peter Blaha
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2024/05/03
[Wien] Optics/x joint working only with prec 1 and NOT with prec 2.
Pranjal Nandi
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2024/05/02
Re: [Wien] Logging output issue for parallel jobs?
Peter Blaha
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2024/05/02
[Wien] Logging output issue for parallel jobs?
Straus, Daniel B
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2024/05/02
Re: [Wien] error in 2X2X2 supercel MgO following guide
Peter Blaha
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2024/05/02
Re: [Wien] error in 2X2X2 supercel MgO following guide
Lyudmila Dobysheva via Wien
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2024/05/02
Re: [Wien] error in 2X2X2 supercel MgO following guide
夏宇阳
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2024/05/02
[Wien] error in 2X2X2 supercel MgO following guide
夏宇阳
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2024/04/29
Re: [Wien] Query regarding wien2k_scratch directory
Laurence Marks
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2024/04/29
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/29
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/29
Re: [Wien] error in x wplot -wf
夏宇阳
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2024/04/28
Re: [Wien] error in x wplot -wf
Gavin Abo
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2024/04/28
[Wien] error in x wplot -wf
夏宇阳
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2024/04/28
Re: [Wien] Query regarding wien2k_scratch directory
Gavin Abo
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2024/04/28
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
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2024/04/28
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
Gavin Abo
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2024/04/28
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
Gavin Abo
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2024/04/28
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
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2024/04/28
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
delamora
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2024/04/28
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
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2024/04/28
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
delamora
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2024/04/28
[Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
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2024/04/27
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/27
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/27
Re: [Wien] Query regarding wien2k_scratch directory
Peter Blaha
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2024/04/27
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/27
Re: [Wien] Query regarding wien2k_scratch directory
Gavin Abo
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2024/04/27
Re: [Wien] Query regarding wien2k_scratch directory
Tomas Kana
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2024/04/26
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/26
Re: [Wien] w2web xcrysden problem
Straus, Daniel B
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2024/04/26
Re: [Wien] SLURM cluster issues
Straus, Daniel B
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2024/04/26
Re: [Wien] Query regarding wien2k_scratch directory
Tomas Kana
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2024/04/26
Re: [Wien] Query regarding wien2k_scratch directory
Peter Blaha
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2024/04/26
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/26
Re: [Wien] Query regarding wien2k_scratch directory
Peter Blaha
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2024/04/26
[Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
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2024/04/24
Re: [Wien] band character plotting with eece
Peter Blaha
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2024/04/24
[Wien] band character plotting with eece
Pavel Ondračka
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2024/04/24
Re: [Wien] Warning during x symmetry
Peter Blaha
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2024/04/24
Re: [Wien] Warning during x symmetry
Fecher, Gerhard
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2024/04/24
[Wien] Warning during x symmetry
shamik chakrabarti
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2024/04/23
Re: [Wien] w2web xcrysden problem
Gavin Abo
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2024/04/23
[Wien] w2web xcrysden problem
Straus, Daniel B
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2024/04/23
Re: [Wien] error in exercise 6(MgO surface slab)
Lyudmila Dobysheva via Wien
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2024/04/23
[Wien] Enquiry on the core hole method for optics.
Pranjal Nandi
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2024/04/23
Re: [Wien] error in exercise 6(MgO surface slab)
夏宇阳
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2024/04/23
Re: [Wien] error in exercise 6(MgO surface slab)
Peter Blaha
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2024/04/23
Re: [Wien] error in exercise 6(MgO surface slab)
夏宇阳
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2024/04/15
Re: [Wien] SLURM cluster issues
Peter Blaha
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2024/04/15
[Wien] SLURM cluster issues
Straus, Daniel B
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2024/04/10
Re: [Wien] Question of bad E(TOP) with no error
Peter Blaha
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2024/04/10
Re: [Wien] Wannier
pluto via Wien
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2024/04/10
Re: [Wien] Question of bad E(TOP) with no error
夏宇阳
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2024/04/10
Re: [Wien] error in exercise 6(MgO surface slab)
Rubel, Oleg
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2024/04/10
Re: [Wien] Question of bad E(TOP) with no error
Peter Blaha
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2024/04/09
Re: [Wien] Question of bad E(TOP) with no error
夏宇阳
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2024/04/09
Re: [Wien] Question of bad E(TOP) with no error
Peter Blaha
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2024/04/09
[Wien] Question of bad E(TOP) with no error
夏宇阳
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2024/04/09
Re: [Wien] Wannier
Fecher, Gerhard
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2024/04/09
Re: [Wien] Wannier
pluto via Wien
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2024/04/09
[Wien] 回复: error in exercise 6(MgO surface slab)
harri...@sjtu.edu.cn
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2024/04/09
Re: [Wien] error in exercise 6(MgO surface slab)
Rubel, Oleg
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2024/04/09
Re: [Wien] error in exercise 6(MgO surface slab)
夏宇阳
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2024/04/09
Re: [Wien] error in exercise 6(MgO surface slab)
Rubel, Oleg
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2024/04/08
Re: [Wien] 回复: error in exercise 6(MgO surface slab)
Peter Blaha
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2024/04/08
[Wien] 回复: error in exercise 6(MgO surface slab)
harri...@sjtu.edu.cn
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2024/04/08
Re: [Wien] error in exercise 6(MgO surface slab)
Peter Blaha
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2024/04/08
[Wien] error in exercise 6(MgO surface slab)
夏宇阳
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2024/04/08
Re: [Wien] how to choose the band indices in init_w2w of a parallel spin-polarized calculation
Rubel, Oleg
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2024/04/07
[Wien] how to choose the band indices in init_w2w of a parallel spin-polarized calculation
夏宇阳
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2024/04/06
[Wien] Error in GGA + So noncollinear magnetic structure calculations in WIENncm
Safikul Islam
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2024/04/05
Re: [Wien] Bug / odd behavior: Can't change some of the session information
Peter Blaha
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2024/04/03
Re: [Wien] Cholesky in supercell
Laurence Marks
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2024/04/03
Re: [Wien] Cholesky in supercell
Natalia Andreeva
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2024/04/02
[Wien] Bug / odd behavior: Can't change some of the session information
Per-Anders Glans-Suzuki
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2024/04/01
Re: [Wien] Cholesky in supercell
Laurence Marks
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2024/04/01
Re: [Wien] Cholesky in supercell
Natalia Andreeva
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2024/04/01
[Wien] Query regarding BVS
shamik chakrabarti
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2024/03/31
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/30
[Wien] Plot sp bandstructure
harri...@sjtu.edu.cn
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2024/03/30
Re: [Wien] error in lapw1
Peter Blaha
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2024/03/30
Re: [Wien] error in lapw1
夏宇阳
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2024/03/30
Re: [Wien] error in lapw1
Peter Blaha
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2024/03/30
[Wien] error in lapw1
夏宇阳
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
shamik chakrabarti
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
shamik chakrabarti
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
Laurence Marks
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
Laurence Marks
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
shamik chakrabarti
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
Laurence Marks
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
shamik chakrabarti
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
Laurence Marks
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2024/03/29
Re: [Wien] Oxidation state of an element in a compound
shamik chakrabarti
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2024/03/28
Re: [Wien] 回复: Question in optimizing the position of a ferromagnetic material
Lyudmila Dobysheva via Wien
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2024/03/28
[Wien] 回复: Question in optimizing the position of a ferromagnetic material
harri...@sjtu.edu.cn
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2024/03/27
Re: [Wien] Question in optimizing the position of a ferromagnetic material
Peter Blaha
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2024/03/27
[Wien] Question in optimizing the position of a ferromagnetic material
harri...@sjtu.edu.cn
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2024/03/27
Re: [Wien] Oxidation state of an element in a compound
shamik chakrabarti
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2024/03/27
Re: [Wien] Oxidation state of an element in a compound
Laurence Marks
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2024/03/27
[Wien] Oxidation state of an element in a compound
shamik chakrabarti
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2024/03/27
Re: [Wien] Cholesky in supercell
Peter Blaha
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2024/03/27
Re: [Wien] Cholesky in supercell
Laurence Marks
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2024/03/27
[Wien] Cholesky in supercell
Natalia Andreeva
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2024/03/25
Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Pranjal Nandi
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2024/03/25
Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Pranjal Nandi
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2024/03/25
Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Peter Blaha
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2024/03/25
[Wien] Compilation error of Libxc during installation of WIEN2K 23.2
Pranjal Nandi
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2024/03/22
Re: [Wien] Problem with dielectric function
Hamza BFA
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2024/03/22
Re: [Wien] Inconsistency in kgen
Peter Blaha
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2024/03/22
Re: [Wien] Problem with dielectric function
Peter Blaha
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2024/03/22
Re: [Wien] Problem with dielectric function
Hamza BFA
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2024/03/22
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/22
Re: [Wien] Inconsistency in kgen
Peter Blaha
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2024/03/22
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/22
Re: [Wien] Problem with dielectric function
Peter Blaha
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2024/03/22
Re: [Wien] Inconsistency in kgen
Peter Blaha
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2024/03/21
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/21
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/21
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/21
[Wien] Problem with dielectric function
Hamza BFA
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2024/03/21
[Wien] Chern Number calculation
Burhan Ahmed
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2024/03/21
Re: [Wien] Inconsistency in kgen
Peter Blaha
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2024/03/20
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/20
[Wien] Possible reasons for not getting plasma frequency.
Pranjal Nandi
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2024/03/20
Re: [Wien] Basic question of convergence of structure
shamik chakrabarti
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2024/03/19
Re: [Wien] Inconsistency in kgen
Peter Blaha
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2024/03/19
Re: [Wien] Basic question of convergence of structure
shamik chakrabarti
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2024/03/19
Re: [Wien] Basic question of convergence of structure
Laurence Marks
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2024/03/19
[Wien] Basic question of convergence of structure
shamik chakrabarti
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2024/03/19
Re: [Wien] Basic Question on ELNES.
Fecher, Gerhard
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2024/03/19
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/18
[Wien] Basic Question on ELNES.
Pranjal Nandi
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2024/03/16
Re: [Wien] ABNiO_4
delamora
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2024/03/13
Re: [Wien] Verifying if the ghostbands still exists or not (no error received).
Pranjal Nandi
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2024/03/13
Re: [Wien] Verifying if the ghostbands still exists or not (no error received).
Peter Blaha
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2024/03/13
[Wien] Verifying if the ghostbands still exists or not (no error received).
Pranjal Nandi
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2024/03/12
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/11
Re: [Wien] Query regarding settings of Rmt*Kmax
shamik chakrabarti
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2024/03/11
Re: [Wien] Query regarding settings of Rmt*Kmax
Peter Blaha
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2024/03/11
[Wien] Query regarding settings of Rmt*Kmax
shamik chakrabarti
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2024/03/11
Re: [Wien] Inconsistency in kgen
Peter Blaha
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2024/03/11
Re: [Wien] Inconsistency in kgen
balabi via Wien
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2024/03/11
Re: [Wien] Inconsistency in kgen
Peter Blaha
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2024/03/11
Re: [Wien] ABNiO_4
Peter Blaha
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2024/03/10
Re: [Wien] ABNiO_4
Laurence Marks
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2024/03/10
[Wien] ABNiO_4
delamora
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2024/03/10
Re: [Wien] Requesting your help in "running qtl in parallel mode"
Gavin Abo
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2024/03/10
[Wien] Inconsistency in kgen
巴拉比 via Wien
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2024/03/10
Re: [Wien] Requesting your help in "running qtl in parallel mode"
Peter Blaha
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2024/03/10
[Wien] Requesting your help in "running qtl in parallel mode"
Pranjal Nandi
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2024/03/09
Re: [Wien] Graphene + M
Lyudmila Dobysheva via Wien
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2024/03/08
Re: [Wien] Graphene + M
Laurence Marks
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2024/03/08
[Wien] Graphene + M
delamora
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2024/03/07
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
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2024/03/05
Re: [Wien] wien2k workshop
Chukwuemeka Okoye
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2024/03/05
[Wien] wien2k workshop
Peter Blaha
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2024/03/04
Re: [Wien] Error in optimization
Peter Blaha
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2024/03/04
Re: [Wien] Error in optimization
Gavin Abo
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2024/03/04
[Wien] Error in optimization
Neetu Malik
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2024/03/03
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Peter Blaha
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2024/03/01
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
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2024/03/01
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Peter Blaha
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2024/03/01
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
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2024/03/01
Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Peter Blaha
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2024/03/01
[Wien] Unable to see Li K edges in ELOSS file. Kindly guide.
Pranjal Nandi
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2024/02/29
Re: [Wien] total energy
Karel Vyborny
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2024/02/29
[Wien] total energy
Douglas Barlow via Wien
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2024/02/25
Re: [Wien] How to assign kz to slab bands?
Rubel, Oleg
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2024/02/25
Re: [Wien] How to assign kz to slab bands?
Peter Blaha
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2024/02/25
Re: [Wien] How to assign kz to slab bands?
pluto via Wien
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2024/02/24
Re: [Wien] How to assign kz to slab bands?
Peter Blaha
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2024/02/23
[Wien] How to assign kz to slab bands?
pluto via Wien
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2024/02/21
Re: [Wien] Graphene + M
Laurence Marks
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2024/02/21
Re: [Wien] Graphene + M
delamora
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2024/02/21
Re: [Wien] Graphene + M
Laurence Marks
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2024/02/21
[Wien] Graphene + M
delamora
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2024/02/20
Re: [Wien] DFTD4
Laurence Marks
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2024/02/20
[Wien] DFTD4
Laurence Marks
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2024/02/18
Re: [Wien] WIEN2k fails to run: "TiC.clmsum no such file"
Karel Vyborny
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2024/02/17
Re: [Wien] Wannier
Peter Blaha
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2024/02/16
Re: [Wien] Wannier
pluto via Wien
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2024/02/15
Re: [Wien] Wannier
Mikhail Nestoklon via Wien
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2024/02/15
Re: [Wien] BoltzTrap-electronic thermal conductivity
Gavin Abo
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2024/02/15
[Wien] BoltzTrap-electronic thermal conductivity
Bara abujafar via Wien
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2024/02/14
Re: [Wien] Wannier
Peter Blaha
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2024/02/14
Re: [Wien] Wannier
Rubel, Oleg
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2024/02/14
[Wien] Wannier
pluto via Wien
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2024/02/12
Re: [Wien] Few questions about onsite hybrids and so
Pavel Ondračka
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2024/02/12
Re: [Wien] Few questions about onsite hybrids and so
Peter Blaha