wien
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[Wien] unit of eval in case.in2
shamik chakrabarti
Re: [Wien] unit of eval in case.in2
shamik chakrabarti
Re: [Wien] unit of eval in case.in2
shamik chakrabarti
[Wien] Continuing: Non convergence of LiNiO2
shamik chakrabarti
Re: [Wien] Continuing: Non convergence of LiNiO2
shamik chakrabarti
Re: [Wien] Continuing: Non convergence of LiNiO2
shamik chakrabarti
Re: [Wien] Continuing: Non convergence of LiNiO2
shamik chakrabarti
Re: [Wien] Continuing: Non convergence of LiNiO2
Laurence Marks
Re: [Wien] Continuing: Non convergence of LiNiO2
shamik chakrabarti
Re: [Wien] Continuing: Non convergence of LiNiO2
Peter Blaha
Re: [Wien] Continuing: Non convergence of LiNiO2
shamik chakrabarti
[Wien] Is there any format for putting the plasma frequencies? x kram failing despite running joint with switch 4 after 6.
Pranjal Nandi
Re: [Wien] Is there any format for putting the plasma frequencies? x kram failing despite running joint with switch 4 after 6.
Peter Blaha
[Wien] Unable to obtain plasma frequency despite GAP =0.
Pranjal Nandi
Re: [Wien] Unable to obtain plasma frequency despite GAP =0.
Pranjal Nandi
[Wien] Non convergence of LiNiO2
shamik chakrabarti
Re: [Wien] Non convergence of LiNiO2
shamik chakrabarti
Re: [Wien] Non convergence of LiNiO2
Laurence Marks
[Wien] Confusion on starting prec 2 after prec 1 on the same struct file.
Pranjal Nandi
Re: [Wien] Confusion on starting prec 2 after prec 1 on the same struct file.
Mikhail Nestoklon via Wien
Re: [Wien] Confusion on starting prec 2 after prec 1 on the same struct file.
Peter Blaha
[Wien] Installation of Wien2k_23.2
shamik chakrabarti
Re: [Wien] Installation of Wien2k_23.2
Peter Blaha
Re: [Wien] Installation of Wien2k_23.2
shamik chakrabarti
[Wien] Error in IRelast initialization for tetragonal structure | too many arguments
Dr . KISHOR KUMAR डॉ . किशोर कुमार
[Wien] Error in IRelast initialization for tetragonal structure | too many arguments
Dr . KISHOR KUMAR डॉ . किशोर कुमार
Re: [Wien] Error in IRelast initialization for tetragonal structure | too many arguments
Peter Blaha
Re: [Wien] Error in IRelast initialization for tetragonal structure | too many arguments
Dr . KISHOR KUMAR डॉ . किशोर कुमार
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Pranjal Nandi
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
fabien . tran
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Pranjal Nandi
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
fabien . tran
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Pranjal Nandi
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Peter Blaha
Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts.
Peter Blaha
[Wien] Optics/x joint working only with prec 1 and NOT with prec 2.
Pranjal Nandi
Re: [Wien] Optics/x joint working only with prec 1 and NOT with prec 2.
Peter Blaha
[Wien] Logging output issue for parallel jobs?
Straus, Daniel B
Re: [Wien] Logging output issue for parallel jobs?
Peter Blaha
[Wien] error in 2X2X2 supercel MgO following guide
夏宇阳
Re: [Wien] error in 2X2X2 supercel MgO following guide
夏宇阳
Re: [Wien] error in 2X2X2 supercel MgO following guide
Lyudmila Dobysheva via Wien
Re: [Wien] error in 2X2X2 supercel MgO following guide
Peter Blaha
[Wien] error in x wplot -wf
夏宇阳
Re: [Wien] error in x wplot -wf
Gavin Abo
Re: [Wien] error in x wplot -wf
夏宇阳
Re: [Wien] error in x wplot -wf
Peter Blaha
[Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
delamora
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
delamora
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
Gavin Abo
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
Gavin Abo
Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2
shamik chakrabarti
[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
Re: [Wien] Query regarding wien2k_scratch directory
Tomas Kana
Re: [Wien] Query regarding wien2k_scratch directory
Gavin Abo
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
shamik chakrabarti
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
Re: [Wien] Query regarding wien2k_scratch directory
Gavin Abo
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
Re: [Wien] Query regarding wien2k_scratch directory
shamik chakrabarti
Re: [Wien] Query regarding wien2k_scratch directory
Laurence Marks
[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
Earlier messages