Messages by Date
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2022/12/30
Re: [Wien] confusion regarding band structure of Graphene
Lyudmila Dobysheva via Wien
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2022/12/29
Re: [Wien] confusion regarding band structure of Graphene
shamik chakrabarti
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2022/12/29
[Wien] confusion regarding band structure of Graphene
shamik chakrabarti
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2022/12/28
[Wien] Regarding lattice constant missing in volume optimization curve data and also in output file of tetragonal lattice
Bhanu Prakash
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2022/12/27
Re: [Wien] Question about TiC / -ec and -cc
Hülya Gürçay
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2022/12/27
[Wien] Magnetooptics: possible bug
Igor I Mazin
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2022/12/27
Re: [Wien] Question about TiC / -ec and -cc
Peter Blaha
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2022/12/27
Re: [Wien] Question about TiC / -ec and -cc
Laurence Marks
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2022/12/27
[Wien] Question about TiC / -ec and -cc
Hülya Gürçay
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2022/12/23
[Wien] Increment of K-points for having smooth DOS in HSE06 calculations
shamik chakrabarti
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2022/12/22
Re: [Wien] QTL quantization axis for Y_lm orbitals
Peter Blaha
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2022/12/22
[Wien] QTL quantization axis for Y_lm orbitals
pluto via Wien
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2022/12/19
Re: [Wien] Cannot open module file ‘fftpack.mod’
shamik chakrabarti
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2022/12/19
Re: [Wien] Cannot open module file ‘fftpack.mod’
shamik chakrabarti
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2022/12/19
[Wien] Cannot open module file ‘fftpack.mod’
shamik chakrabarti
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2022/12/19
Re: [Wien] AMD and oneapi for wien2k
Peter Blaha
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2022/12/18
Re: [Wien] AMD and oneapi for wien2k
Yundi Quan via Wien
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2022/12/18
[Wien] AMD and oneapi for wien2k
Hemza
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2022/12/17
Re: [Wien] budget CPU and Linux system for precompiled binaries
Gavin Abo
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2022/12/16
Re: [Wien] budget CPU and Linux system for precompiled binaries
Mathew Peet
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2022/12/16
[Wien] budget CPU and Linux system for precompiled binaries
pluto via Wien
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2022/12/08
Re: [Wien] mixer crash
Laurence Marks
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2022/12/08
Re: [Wien] mixer crash
Karel Vyborny
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2022/12/07
Re: [Wien] mixer crash
Peter Blaha
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2022/12/06
Re: [Wien] mixer crash
Karel Vyborny
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2022/12/06
Re: [Wien] mixer crash
Laurence Marks
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2022/12/06
Re: [Wien] mixer crash
Jindrich Kolorenc
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2022/12/06
Re: [Wien] mixer crash
Karel Vyborny
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2022/12/06
Re: [Wien] mixer crash
Laurence Marks
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2022/12/06
[Wien] mixer crash
Karel Vyborny
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2022/12/03
[Wien] /tmp/sh.XXYCoXH9: Not a directory.
shamik chakrabarti
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2022/12/01
Re: [Wien] Automatic running of -bash in the terminal
Laurence Marks
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2022/12/01
[Wien] Automatic running of -bash in the terminal
shamik chakrabarti
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2022/12/01
Re: [Wien] Error during compilation
Gavin Abo
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2022/12/01
[Wien] Error during compilation
shamik chakrabarti
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2022/11/30
Re: [Wien] Fwd: parallel case.vector and qtl
Peter Blaha
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2022/11/30
[Wien] Fwd: parallel case.vector and qtl
Laurence Marks
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2022/11/30
Re: [Wien] parallel case.vector and qtl
Laurence Marks
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2022/11/30
[Wien] parallel case.vector and qtl
Tim Williams via Wien
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2022/11/30
Re: [Wien] ELF
reyhaneh ebrahimi
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2022/11/30
Re: [Wien] Error while running elastic calculations
Morteza Jamal via Wien
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2022/11/30
Re: [Wien] Error while running elastic calculations
413119008
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2022/11/29
Re: [Wien] Error while running elastic calculations
Morteza Jamal via Wien
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2022/11/29
[Wien] Error while running elastic calculations
413119008
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2022/11/26
Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
Peter Blaha
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2022/11/24
Re: [Wien] Bug in QTL WIEN2k 21.1
Peter Blaha
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2022/11/23
[Wien] Bug in QTL WIEN2k 21.1
Aleksandar Razpopov
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2022/11/23
Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
Gavin Abo
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2022/11/22
Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
Lyudmila Dobysheva via Wien
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2022/11/21
Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
ma.azadparvar
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2022/11/21
Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
Gavin Abo
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2022/11/21
Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
ma.azadparvar
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2022/11/20
Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
Peter Blaha
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2022/11/20
[Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
ma.azadparvar
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2022/11/19
Re: [Wien] Semicore band ranges too large
shamik chakrabarti
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2022/11/18
Re: [Wien] Problems of calculating the effective U and setting shift during the supercell procedure
Peter Blaha
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2022/11/18
Re: [Wien] HF with HDLO?
Peter Blaha
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2022/11/18
Re: [Wien] Semicore band ranges too large
Peter Blaha
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2022/11/17
Re: [Wien] Semicore band ranges too large
shamik chakrabarti
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2022/11/17
[Wien] Semicore band ranges too large
shamik chakrabarti
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2022/11/16
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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2022/11/16
[Wien] HF with HDLO?
Mikhail Nestoklon via Wien
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2022/11/15
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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2022/11/15
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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2022/11/14
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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2022/11/14
[Wien] Problems of calculating the effective U and setting shift during the supercell procedure
晨晨 via Wien
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2022/11/14
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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2022/11/14
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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2022/11/14
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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2022/11/14
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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2022/11/14
Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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2022/11/14
Re: [Wien] Bandstructure calc. with polarization and SO
Peter Blaha
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2022/11/14
[Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Peter Blaha
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2022/11/12
[Wien] [SPAM?] Bandstructure calc. with polarization and SO
pboulet
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2022/11/11
Re: [Wien] Bader charge
Laurence Marks
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2022/11/11
Re: [Wien] Bader charge
Peter Blaha
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2022/11/11
Re: [Wien] Bader charge
leila mollabashi
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2022/11/10
Re: [Wien] About increment of K-points after convergence achieved with less no. of K points
shamik chakrabarti
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2022/11/10
Re: [Wien] About increment of K-points after convergence achieved with less no. of K points
Peter Blaha
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2022/11/10
Re: [Wien] Calculate the allowed volume of Emails
reyhaneh ebrahimi
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2022/11/09
[Wien] Calculate the allowed volume of Emails
reyhaneh ebrahimi
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2022/11/09
Re: [Wien] ELF
Peter Blaha
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2022/11/08
Re: [Wien] ELF
reyhaneh ebrahimi
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2022/11/08
[Wien] About increment of K-points after convergence achieved with less no. of K points
shamik chakrabarti
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2022/11/04
Re: [Wien] error in runfsm_lapw: vresp: Undefined variable.
Dr . KISHOR KUMAR डॉ . किशोर कुमार
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2022/11/04
Re: [Wien] ELF
fabien . tran
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2022/11/04
Re: [Wien] ELF
Kateryna Foyevtsova
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2022/11/04
Re: [Wien] Bader charge
Laurence Marks
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2022/11/04
Re: [Wien] ELF
reyhaneh ebrahimi
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2022/11/04
[Wien] Bader charge
leila mollabashi
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2022/11/04
Re: [Wien] ELF
Peter Blaha
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2022/11/04
Re: [Wien] ELF
Peter Blaha
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2022/11/04
Re: [Wien] error in runfsm_lapw: vresp: Undefined variable.
Laurence Marks
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2022/11/04
Re: [Wien] error in runfsm_lapw: vresp: Undefined variable.
Dr . KISHOR KUMAR डॉ . किशोर कुमार
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2022/11/03
Re: [Wien] ELF
reyhaneh ebrahimi
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2022/11/03
Re: [Wien] [EXTERNAL] Re: ELF
Zhu, Jianxin via Wien
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2022/11/03
Re: [Wien] [EXTERNAL] Re: ELF
reyhaneh ebrahimi
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2022/11/03
Re: [Wien] [EXTERNAL] Re: ELF
fabien . tran
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2022/11/03
Re: [Wien] [EXTERNAL] Re: ELF
Zhu, Jianxin via Wien
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2022/11/03
Re: [Wien] ELF
Peter Blaha
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2022/11/03
Re: [Wien] ELF
Kateryna Foyevtsova
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2022/11/03
Re: [Wien] error in runfsm_lapw: vresp: Undefined variable.
Peter Blaha
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2022/11/03
Re: [Wien] error in runfsm_lapw: vresp: Undefined variable.
pboulet
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2022/11/03
[Wien] error in runfsm_lapw: vresp: Undefined variable.
Dr . KISHOR KUMAR डॉ . किशोर कुमार
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2022/11/02
Re: [Wien] ELF
Peter Blaha
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2022/11/01
Re: [Wien] ELF
Kateryna Foyevtsova
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2022/10/30
Re: [Wien] Spin-polarized state not really spin-polarized
pboulet
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2022/10/30
Re: [Wien] Spin-polarized state not really spin-polarized
Peter Blaha
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2022/10/30
Re: [Wien] Spin-polarized state not really spin-polarized
fabien . tran
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2022/10/30
Re: [Wien] Spin-polarized state not really spin-polarized
xavier rocquefelte
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2022/10/30
Re: [Wien] Spin-polarized state not really spin-polarized
pboulet
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2022/10/30
Re: [Wien] Spin-polarized state not really spin-polarized
fabien . tran
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2022/10/30
[Wien] Spin-polarized state not really spin-polarized
pboulet
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2022/10/29
Re: [Wien] Number of orbitals in spin-polarized hybrid calculation
pboulet
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2022/10/29
Re: [Wien] Number of orbitals in spin-polarized hybrid calculation
fabien . tran
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2022/10/29
Re: [Wien] Number of orbitals in spin-polarized hybrid calculation
Peter Blaha
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2022/10/29
[Wien] Number of orbitals in spin-polarized hybrid calculation
pboulet
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2022/10/28
Re: [Wien] ELF
Peter Blaha
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2022/10/27
Re: [Wien] ELF
Peter Blaha
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2022/10/26
Re: [Wien] ELF
Kateryna Foyevtsova
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2022/10/22
Re: [Wien] ELF
Peter Blaha
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2022/10/22
Re: [Wien] ELF
reyhaneh ebrahimi
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2022/10/22
Re: [Wien] ELF
Peter Blaha
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2022/10/21
Re: [Wien] ELF
reyhaneh ebrahimi
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2022/10/21
Re: [Wien] ELF
Peter Blaha
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2022/10/21
[Wien] ELF
reyhaneh ebrahimi
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2022/10/13
Re: [Wien] strange behavior of QTL's
Peter Blaha
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2022/10/13
[Wien] strange behavior of QTL's
Lyudmila Dobysheva via Wien
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2022/09/28
Re: [Wien] Optical properties
Chukwuemeka Okoye
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2022/09/28
Re: [Wien] Optical properties
Peter Blaha
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2022/09/27
Re: [Wien] Optical properties
Chukwuemeka Okoye
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2022/09/27
Re: [Wien] Optical properties
Peter Blaha
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2022/09/27
[Wien] Optical properties
Chukwuemeka Okoye
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2022/09/26
[Wien] Optical properties
Chukwuemeka Okoye
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2022/09/26
[Wien] Fwd: Survey on the use of simulation codes
pblaha
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2022/09/23
Re: [Wien] Clarification on Magnetic Anisotropy Energy calculations
Peter Blaha
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2022/09/23
[Wien] Clarification on Magnetic Anisotropy Energy calculations
Marcus Ekholm via Wien
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2022/09/22
Re: [Wien] Whether magnetic moment per atom can be trusted in mbj
fabien . tran
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2022/09/21
[Wien] Whether magnetic moment per atom can be trusted in mbj
shamik chakrabarti
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2022/09/21
Re: [Wien] Whether magnetic moment per atom can be trusted in mbj
shamik chakrabarti
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2022/09/21
[Wien] Associate Professor in Materials Modelling
Laurence Marks
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2022/09/14
Re: [Wien] About Phonon calculations
Peter Blaha
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2022/09/14
[Wien] About Phonon calculations
AJAY SINGH VERMA
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2022/09/11
Re: [Wien] fixed spin moment calculation in MSRa1 mode
Laurence Marks
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2022/09/10
Re: [Wien] fixed spin moment calculation in MSRa1 mode
Laurence Marks
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2022/09/10
[Wien] fixed spin moment calculation in MSRa1 mode
kadda AMARA
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2022/09/10
Re: [Wien] contradictory band gap in case.scf and band.agr
Dr. K. C. Bhamu
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2022/09/10
Re: [Wien] IRelast error in C_ana_elast_lapw
Laurence Marks
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2022/09/10
Re: [Wien] IRelast error in C_ana_elast_lapw
AJAY SINGH VERMA
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2022/09/10
Re: [Wien] contradictory band gap in case.scf and band.agr
Fecher, Gerhard
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2022/09/10
Re: [Wien] contradictory band gap in case.scf and band.agr
Dr. K. C. Bhamu
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2022/09/10
Re: [Wien] contradictory band gap in case.scf and band.agr
Gavin Abo
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2022/09/10
Re: [Wien] contradictory band gap in case.scf and band.agr
Dr. K. C. Bhamu
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2022/09/10
Re: [Wien] contradictory band gap in case.scf and band.agr
Laurence Marks
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2022/09/09
[Wien] contradictory band gap in case.scf and band.agr
Dr. K. C. Bhamu
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2022/09/09
Re: [Wien] About phonon calculation
Peter Blaha
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2022/09/09
[Wien] About phonon calculation
AJAY SINGH VERMA
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2022/09/08
Re: [Wien] IRelast error in C_ana_elast_lapw
Laurence Marks
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2022/09/08
Re: [Wien] IRelast error in C_ana_elast_lapw
Morteza Jamal via Wien
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2022/09/08
Re: [Wien] IRelast error in C_ana_elast_lapw
reyhaneh ebrahimi
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2022/09/08
Re: [Wien] IRelast error in C_ana_elast_lapw
Morteza Jamal via Wien
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2022/09/08
[Wien] IRelast error in C_ana_elast_lapw
AJAY SINGH VERMA
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2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
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2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
Morteza Jamal via Wien
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2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
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2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
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2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
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2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
-
2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
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2022/09/07
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
-
2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
Morteza Jamal via Wien
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2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
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2022/09/06
Re: [Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC
Xudong Huai
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2022/09/06
Re: [Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC
fabien . tran
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2022/09/06
[Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC
Xudong Huai
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2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
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2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
Gavin Abo
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2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
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2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
Laurence Marks
-
2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
Laurence Marks
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2022/09/06
Re: [Wien] Error while running IRelast - calljob_lapw
Morteza Jamal via Wien
-
2022/09/06
[Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
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2022/09/05
Re: [Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw
Gavin Abo
-
2022/09/05
Re: [Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw
Gavin Abo
-
2022/09/05
[Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw
AJAY SINGH VERMA
-
2022/09/05
Re: [Wien] Optics with Custom K-mesh
Peter Blaha
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2022/09/04
[Wien] Optics with Custom K-mesh
Polatkan, Sascha
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2022/09/03
Re: [Wien] Error in IRelast
Gavin Abo
-
2022/09/03
Re: [Wien] Error in IRelast
Peeyush Kumar Kamlesh
-
2022/09/03
Re: [Wien] Error in IRelast
morteza jamal via Wien
-
2022/09/03
Re: [Wien] Error in IRelast
Laurence Marks
-
2022/09/03
Re: [Wien] Error in IRelast
Gavin Abo
-
2022/09/03
[Wien] Error in IRelast
Peeyush Kumar Kamlesh
-
2022/08/24
Re: [Wien] Lapw1_mpi
Peter Blaha
-
2022/08/24
Re: [Wien] Lapw1_mpi
Peter Blaha
-
2022/08/23
[Wien] Lapw1_mpi
sherif Yehia
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2022/08/22
Re: [Wien] calculation of electron-phonon coupling constant
Peter Blaha
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2022/08/19
Re: [Wien] calculation of electron-phonon coupling constant
Laurence Marks
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2022/08/19
Re: [Wien] calculation of electron-phonon coupling constant
Mathew Peet
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2022/08/18
[Wien] ??????calculation of electron-phonon coupling constant
zhouchao via Wien