Messages by Date
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2020/10/12
Re: [Wien] optimization - 2D materials
Laurence Marks
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2020/10/12
[Wien] optimization - 2D materials
Brik Hamida
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2020/10/12
Re: [Wien] .machines for several nodes
Christian Søndergaard Pedersen
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2020/10/12
[Wien] .machines for several nodes
Christian Søndergaard Pedersen
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2020/10/12
Re: [Wien] .machines for several nodes
Peter Blaha
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2020/10/12
Re: [Wien] Segmentation fault in w2w
Peter Blaha
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2020/10/12
Re: [Wien] .machines for several nodes
Peter Blaha
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2020/10/12
Re: [Wien] .machines for several nodes
Ruh, Thomas
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2020/10/12
Re: [Wien] NOMAD and Wien2k
Peter Blaha
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2020/10/12
Re: [Wien] finding density of states for individual bands
Peter Blaha
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2020/10/12
Re: [Wien] .machines for several nodes
Ruh, Thomas
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2020/10/12
Re: [Wien] .machines for several nodes
Peter Blaha
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2020/10/12
Re: [Wien] finding density of states for individual bands
Pavel Ondračka
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2020/10/11
Re: [Wien] finding density of states for individual bands
Lee, Yongbin [A LAB]
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2020/10/11
Re: [Wien] finding density of states for individual bands
Karel Vyborny
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2020/10/10
Re: [Wien] finding density of states for individual bands
Lee, Yongbin [A LAB]
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2020/10/10
[Wien] finding density of states for individual bands
Joseph Ross
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2020/10/09
[Wien] NOMAD and Wien2k
Pavel Ondračka
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2020/10/08
Re: [Wien] format of case.klist_band
Peter Blaha
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2020/10/08
[Wien] format of case.klist_band
Marcus Ekholm
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2020/10/06
[Wien] delays in parallel work
Lyudmila Dobysheva
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2020/10/06
Re: [Wien] delays in parallel work
Peter Blaha
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2020/10/06
Re: [Wien] delays in parallel work
Laurence Marks
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2020/10/06
Re: [Wien] View structure in a remote machine
Rubel, Oleg
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2020/10/05
Re: [Wien] View structure in a remote machine
delamora
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2020/10/05
Re: [Wien] View structure in a remote machine
delamora
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2020/10/05
Re: [Wien] Segmentation fault in w2w
Niraj Aryal
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2020/10/05
Re: [Wien] LAPW1 error
Laurence Marks
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2020/10/05
Re: [Wien] LAPW1 error
Israel Omar Perez Lopez
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2020/10/04
Re: [Wien] LAPW1 error
Peter Blaha
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2020/10/04
Re: [Wien] LAPW1 error
Lyudmila Dobysheva
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2020/10/04
Re: [Wien] LAPW1 error
Riyajul Islam
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2020/10/04
Re: [Wien] LAPW1 error
Tran, Fabien
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2020/10/04
Re: [Wien] LAPW1 error
Riyajul Islam
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2020/10/04
Re: [Wien] LAPW1 error
Tran, Fabien
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2020/10/04
Re: [Wien] LAPW1 error
Riyajul Islam
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2020/10/04
Re: [Wien] LAPW1 error
Tran, Fabien
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2020/10/04
Re: [Wien] LAPW1 error
Riyajul Islam
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2020/10/04
Re: [Wien] LAPW1 error
Tran, Fabien
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2020/10/04
[Wien] LAPW1 error
Riyajul Islam
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2020/10/02
Re: [Wien] View structure in a remote machine
Rubel, Oleg
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2020/10/02
[Wien] View structure in a remote machine
delamora
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2020/10/02
Re: [Wien] Wien post from l...@sz.tsinghua.edu.cn
Laurence Marks
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2020/10/02
Re: [Wien] Wien post from l...@sz.tsinghua.edu.cn
Peter Blaha
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2020/09/30
Re: [Wien] query regarding c/a optimization curve
Laurence Marks
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2020/09/30
Re: [Wien] query regarding c/a optimization curve
shamik chakrabarti
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2020/09/30
Re: [Wien] query regarding c/a optimization curve
Tomas Kana
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2020/09/30
Re: [Wien] query regarding c/a optimization curve
Laurence Marks
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2020/09/30
[Wien] query regarding c/a optimization curve
shamik chakrabarti
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2020/09/29
Re: [Wien] external magnetic field using orb with spin-orbit interaction
Mikhail Nestoklon
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2020/09/29
[Wien] external magnetic field using orb with spin-orbit interaction
Mikhail Nestoklon
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2020/09/29
Re: [Wien] external magnetic field using orb with spin-orbit interaction
Peter Blaha
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2020/09/29
Re: [Wien] external magnetic field using orb with spin-orbit interaction
Peter Blaha
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2020/09/28
Re: [Wien] How to set a specific spin state
Peter Blaha
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2020/09/28
[Wien] How to set a specific spin state
Yfding
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2020/09/26
Re: [Wien] BoltzTrap
Peter Blaha
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2020/09/26
Re: [Wien] BoltzTrap
Shahid Mahmood Chaudhry
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2020/09/25
Re: [Wien] BoltzTrap
Gavin Abo
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2020/09/25
Re: [Wien] BoltzTrap
Peter Blaha
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2020/09/25
Re: [Wien] BoltzTrap
Laurence Marks
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2020/09/25
[Wien] BoltzTrap
Karima Karim
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2020/09/25
Re: [Wien] Option 8 in x optimize
Peter Blaha
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2020/09/24
Re: [Wien] To count the no. of atom if occupancy is 0.5 - reg
Peter Blaha
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2020/09/24
Re: [Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
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2020/09/21
Re: [Wien] Optimization of orthorhombic and monoclinic structure.
Lyudmila Dobysheva
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2020/09/21
Re: [Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
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2020/09/19
Re: [Wien] Problem faced during elastic constant calculation using Elast package.
upasana Rani
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2020/09/19
Re: [Wien] Problem faced during elastic constant calculation using Elast package.
Gavin Abo
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2020/09/19
[Wien] Problem faced during elastic constant calculation using Elast package.
upasana Rani
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2020/09/18
Re: [Wien] Occupying high energy states without FERMI error
Guoping Zhang
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2020/09/18
Re: [Wien] Optimization of orthorhombic and monoclinic structure.
Lyudmila Dobysheva
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2020/09/18
Re: [Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
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2020/09/17
Re: [Wien] Occupying high energy states without FERMI error
Peter Blaha
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2020/09/17
Re: [Wien] monoclinic optimization
shamik chakrabarti
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2020/09/16
Re: [Wien] monoclinic optimization
Gavin Abo
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2020/09/16
Re: [Wien] Optimization of orthorhombic and monoclinic structure.
Gavin Abo
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2020/09/16
[Wien] monoclinic optimization
karima Physique
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2020/09/15
[Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
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2020/09/15
[Wien] Occupying high energy states without FERMI error
Guoping Zhang
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2020/09/14
Re: [Wien] Berrypi_GGA+U+SO
Rubel, Oleg
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2020/09/14
Re: [Wien] Berrypi_GGA+U+SO
Gavin Abo
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2020/09/14
Re: [Wien] Berrypi_GGA+U+SO
Laurence Marks
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2020/09/14
[Wien] Berrypi_GGA+U+SO
tarek
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2020/09/14
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
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2020/09/14
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
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2020/09/14
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
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2020/09/14
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
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2020/09/14
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
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2020/09/14
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Gavin Abo
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2020/09/14
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
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2020/09/13
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
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2020/09/13
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Israel Omar Perez Lopez
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2020/09/13
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
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2020/09/13
Re: [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
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2020/09/13
[Wien] parallel instalation of Wien2k: elpa, fftw
Ilias Miroslav, doc. RNDr., PhD.
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2020/09/12
Re: [Wien] ssh command in Wien2k scripts
Laurence Marks
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2020/09/12
Re: [Wien] ssh command in Wien2k scripts
Gavin Abo
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2020/09/12
Re: [Wien] Segmentation fault in w2w
Laurence Marks
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2020/09/12
Re: [Wien] Segmentation fault in w2w
Laurence Marks
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2020/09/12
Re: [Wien] Segmentation fault in w2w
Niraj Aryal
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2020/09/12
Re: [Wien] ssh command in Wien2k scripts
Peter Blaha
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2020/09/12
Re: [Wien] ssh command in Wien2k scripts
Laurence Marks
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2020/09/12
[Wien] ssh command in Wien2k scripts
Ilias Miroslav, doc. RNDr., PhD.
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2020/09/11
Re: [Wien] hyperfine field anisotropic of Li in battery materials
林敏
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2020/09/11
Re: [Wien] hyperfine field anisotropic of Li in battery materials
林敏
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2020/09/11
Re: [Wien] Segmentation fault in w2w
Gavin Abo
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2020/09/11
Re: [Wien] Segmentation fault in w2w
Laurence Marks
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2020/09/11
Re: [Wien] Segmentation fault in w2w
Rubel, Oleg
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2020/09/11
[Wien] Segmentation fault in w2w
Niraj Aryal
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2020/09/11
Re: [Wien] hyperfine field anisotropic of Li in battery materials
Peter Blaha
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2020/09/10
Re: [Wien] hyperfine field anisotropic of Li in battery materials
林敏
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2020/09/10
Re: [Wien] hyperfine field anisotropic of Li in battery materials
Peter Blaha
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2020/09/10
[Wien] hyperfine field anisotropic of Li in battery materials
林敏
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2020/09/09
[Wien] LAPW1 doesn't show error in parallel calculation
Lyudmila Dobysheva
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2020/09/09
Re: [Wien] LAPW1 doesn't show error in parallel calculation
Peter Blaha
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2020/09/09
Re: [Wien] LAPW1 doesn't show error in parallel calculation
Laurence Marks
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2020/09/08
Re: [Wien] dstart.error
Peter Blaha
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2020/09/08
Re: [Wien] Exit code "0" for LAPW1 with an error
Rubel, Oleg
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2020/09/08
Re: [Wien] dstart.error
Laurence Marks
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2020/09/08
Re: [Wien] dstart.error
Ilias Miroslav, doc. RNDr., PhD.
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2020/09/08
Re: [Wien] Exit code "0" for LAPW1 with an error
Rubel, Oleg
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2020/09/08
Re: [Wien] Exit code "0" for LAPW1 with an error
Peter Blaha
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2020/09/08
Re: [Wien] Exit code "0" for LAPW1 with an error
Yundi Quan
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2020/09/08
[Wien] Exit code "0" for LAPW1 with an error
Rubel, Oleg
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2020/09/08
[Wien] electron density maps for several unit cells
Luc Fruchter
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2020/09/08
Re: [Wien] Born effective charge calculation
Wien2k User
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2020/09/08
Re: [Wien] direct or indirect absorption?
Badis Bennecer
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2020/09/07
Re: [Wien] direct or indirect absorption?
Peter Blaha
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2020/09/07
Re: [Wien] electron density maps for several unit cells
Peter Blaha
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2020/09/07
Re: [Wien] Born effective charge calculation
Laurence Marks
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2020/09/07
Re: [Wien] Born effective charge calculation
Rubel, Oleg
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2020/09/07
[Wien] direct or indirect absorption?
Fan
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2020/09/07
Re: [Wien] Min_lapw Errors
????
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2020/09/06
Re: [Wien] unexpected error in SOC calculations for non spin-polarized case
Microsoft.com team
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2020/09/06
Re: [Wien] unexpected error in SOC calculations for non spin-polarized case
Gavin Abo
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2020/09/06
Re: [Wien] GGA+U+SO steps order
Tran, Fabien
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2020/09/06
[Wien] GGA+U+SO steps order
tarek
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2020/09/06
Re: [Wien] Fwd: Regarding the warning in total energy
Laurence Marks
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2020/09/06
[Wien] Fwd: Regarding the warning in total energy
Subhasis Panda
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2020/09/06
Re: [Wien] Born effective charge calculation
Wien2k User
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2020/09/05
Re: [Wien] Born effective charge calculation
Laurence Marks
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2020/09/05
[Wien] Born effective charge calculation
Wien2k User
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2020/09/05
Re: [Wien] unexpected error in SOC calculations for non spin-polarized case
Laurence Marks
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2020/09/05
Re: [Wien] unexpected error in SOC calculations for non spin-polarized case
Peter Blaha
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2020/09/05
Re: [Wien] unexpected error in SOC calculations for non spin-polarized case
Peter Blaha
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2020/09/05
[Wien] unexpected error in SOC calculations for non spin-polarized case
tarek
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2020/09/04
[Wien] wien2wannier and local coordinate systems
Marcus Ekholm
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2020/09/03
Re: [Wien] w2wc parallel
Laurence Marks
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2020/09/03
Re: [Wien] w2wc parallel
Rubel, Oleg
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2020/09/03
[Wien] w2wc parallel
karima Physique
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2020/09/03
Re: [Wien] Min_lapw Errors
Laurence Marks
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2020/09/03
Re: [Wien] Min_lapw Errors
????
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2020/09/03
Re: [Wien] Min_lapw Errors
Laurence Marks
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2020/09/02
[Wien] Min_lapw Errors
????
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2020/08/31
Re: [Wien] join_vectorfiles to be used with a different syntax
Peter Blaha
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2020/08/31
[Wien] join_vectorfiles to be used with a different syntax
Luc Fruchter
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2020/08/28
Re: [Wien] dstart.error
Peter Blaha
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2020/08/28
Re: [Wien] Ghost band error in anatase TiO2
Peter Blaha
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2020/08/28
Re: [Wien] Ghost band error in anatase TiO2
Laurence Marks
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2020/08/28
[Wien] Ghost band error in anatase TiO2
shamik chakrabarti
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2020/08/28
Re: [Wien] omp vs mpi for LAPW1
karima Physique
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2020/08/28
Re: [Wien] Error in SCF calculation
upasana Rani
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2020/08/28
Re: [Wien] Error in SCF calculation
Laurence Marks
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2020/08/27
Re: [Wien] Error in SCF calculation
upasana Rani
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2020/08/27
Re: [Wien] omp vs mpi for LAPW1
Peter Blaha
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2020/08/27
Re: [Wien] omp vs mpi for LAPW1
karima Physique
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2020/08/27
Re: [Wien] omp vs mpi for LAPW1
Peter Blaha
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2020/08/27
Re: [Wien] omp vs mpi for LAPW1
Laurence Marks
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2020/08/27
[Wien] omp vs mpi for LAPW1
karima Physique
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2020/08/27
Re: [Wien] Error in SCF calculation
Laurence Marks
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2020/08/27
[Wien] Error in SCF calculation
upasana Rani
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2020/08/26
Re: [Wien] Compiling WIEN2k with AOCL for AMD processors
Ruh, Thomas
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2020/08/26
[Wien] Compiling WIEN2k with AOCL for AMD processors
Artem Tarasov
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2020/08/25
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
shamik chakrabarti
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2020/08/25
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
Gavin Abo
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2020/08/25
Re: [Wien] Continued: Error during abc & gamma (4D) optimization of a monoclinic system
shamik chakrabarti
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2020/08/25
Re: [Wien] Continued: Error during abc & gamma (4D) optimization of a monoclinic system
Peter Blaha
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2020/08/25
[Wien] Continued: Error during abc & gamma (4D) optimization of a monoclinic system
shamik chakrabarti
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2020/08/25
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
shamik chakrabarti
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2020/08/24
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
Gavin Abo
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2020/08/24
Re: [Wien] Berrypi & w2w
Rubel, Oleg
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2020/08/24
Re: [Wien] Berrypi & w2w
Rubel, Oleg
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2020/08/24
Re: [Wien] Berrypi & w2w
Peter Blaha
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2020/08/24
[Wien] Berrypi & w2w
Laurence Marks
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2020/08/24
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
shamik chakrabarti
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2020/08/24
Re: [Wien] Interstitial DOS for SOC calculation
Peter Blaha
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2020/08/24
[Wien] Interstitial DOS for SOC calculation
Falke, Johannes
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2020/08/24
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
Laurence Marks
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2020/08/24
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
shamik chakrabarti
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2020/08/24
Re: [Wien] Error during abc & gamma (4D) optimization of a monoclinic system
Gavin Abo
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2020/08/24
Re: [Wien] Lattice thermal conductivity
Peeyush Kumar Kamlesh
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2020/08/24
Re: [Wien] Lattice thermal conductivity
Gavin Abo
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2020/08/23
[Wien] Error during abc & gamma (4D) optimization of a monoclinic system
shamik chakrabarti
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2020/08/23
[Wien] Lattice thermal conductivity
Peeyush Kumar Kamlesh
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2020/08/21
Re: [Wien] how to increase the band gap with TB-MBJ or other potential
Sanjay Pachori
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2020/08/20
Re: [Wien] Energy in SCF NOT CONVERGED
Sanjay Pachori
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2020/08/20
Re: [Wien] how to increase the band gap with TB-MBJ or other potential
Tran, Fabien
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2020/08/20
Re: [Wien] how to increase the band gap with TB-MBJ or other potential
Sanjay Pachori
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2020/08/19
Re: [Wien] how to increase the band gap with TB-MBJ or other potential
Peter Blaha
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2020/08/19
Re: [Wien] Energy in SCF NOT CONVERGED
Peter Blaha