September 2020 Archives by subject
Starting: Thu Sep 3 06:29:36 CEST 2020
Ending: Wed Sep 30 13:11:37 CEST 2020
Messages: 110
- [Wien] Berrypi_GGA+U+SO
tarek
- [Wien] Berrypi_GGA+U+SO
Laurence Marks
- [Wien] Berrypi_GGA+U+SO
Gavin Abo
- [Wien] Berrypi_GGA+U+SO
Rubel, Oleg
- [Wien] BoltzTrap
Karima Karim
- [Wien] BoltzTrap
Laurence Marks
- [Wien] BoltzTrap
Peter Blaha
- [Wien] BoltzTrap
Gavin Abo
- [Wien] BoltzTrap
Shahid Mahmood Chaudhry
- [Wien] BoltzTrap
Peter Blaha
- [Wien] Born effective charge calculation
Wien2k User
- [Wien] Born effective charge calculation
Laurence Marks
- [Wien] Born effective charge calculation
Wien2k User
- [Wien] Born effective charge calculation
Rubel, Oleg
- [Wien] Born effective charge calculation
Laurence Marks
- [Wien] Born effective charge calculation
Wien2k User
- [Wien] direct or indirect absorption?
Fan
- [Wien] direct or indirect absorption?
Peter Blaha
- [Wien] direct or indirect absorption?
Badis Bennecer
- [Wien] dstart.error
Ilias Miroslav, doc. RNDr., PhD.
- [Wien] dstart.error
Laurence Marks
- [Wien] dstart.error
Peter Blaha
- [Wien] electron density maps for several unit cells
Peter Blaha
- [Wien] electron density maps for several unit cells
Luc Fruchter
- [Wien] Exit code "0" for LAPW1 with an error
Rubel, Oleg
- [Wien] Exit code "0" for LAPW1 with an error
Yundi Quan
- [Wien] Exit code "0" for LAPW1 with an error
Peter Blaha
- [Wien] Exit code "0" for LAPW1 with an error
Rubel, Oleg
- [Wien] Exit code "0" for LAPW1 with an error
Rubel, Oleg
- [Wien] external magnetic field using orb with spin-orbit interaction
Mikhail Nestoklon
- [Wien] external magnetic field using orb with spin-orbit interaction
Peter Blaha
- [Wien] external magnetic field using orb with spin-orbit interaction
Mikhail Nestoklon
- [Wien] external magnetic field using orb with spin-orbit interaction
Peter Blaha
- [Wien] Fwd: Regarding the warning in total energy
Subhasis Panda
- [Wien] Fwd: Regarding the warning in total energy
Laurence Marks
- [Wien] GGA+U+SO steps order
tarek
- [Wien] GGA+U+SO steps order
Tran, Fabien
- [Wien] How to set a specific spin state
Yfding
- [Wien] How to set a specific spin state
Peter Blaha
- [Wien] hyperfine field anisotropic of Li in battery materials
林敏
- [Wien] hyperfine field anisotropic of Li in battery materials
Peter Blaha
- [Wien] hyperfine field anisotropic of Li in battery materials
林敏
- [Wien] hyperfine field anisotropic of Li in battery materials
Peter Blaha
- [Wien] hyperfine field anisotropic of Li in battery materials
林敏
- [Wien] hyperfine field anisotropic of Li in battery materials
林敏
- [Wien] LAPW1 doesn't show error in parallel calculation
Lyudmila Dobysheva
- [Wien] LAPW1 doesn't show error in parallel calculation
Laurence Marks
- [Wien] LAPW1 doesn't show error in parallel calculation
Peter Blaha
- [Wien] Min_lapw Errors
晨晨
- [Wien] Min_lapw Errors
Laurence Marks
- [Wien] Min_lapw Errors
晨晨
- [Wien] Min_lapw Errors
Laurence Marks
- [Wien] Min_lapw Errors
晨晨
- [Wien] monoclinic optimization
karima Physique
- [Wien] monoclinic optimization
Gavin Abo
- [Wien] monoclinic optimization
shamik chakrabarti
- [Wien] Occupying high energy states without FERMI error
Guoping Zhang
- [Wien] Occupying high energy states without FERMI error
Peter Blaha
- [Wien] Occupying high energy states without FERMI error
Guoping Zhang
- [Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
- [Wien] Optimization of orthorhombic and monoclinic structure.
Gavin Abo
- [Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
- [Wien] Optimization of orthorhombic and monoclinic structure.
Lyudmila Dobysheva
- [Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
- [Wien] Optimization of orthorhombic and monoclinic structure.
Lyudmila Dobysheva
- [Wien] Optimization of orthorhombic and monoclinic structure.
Ramsewak Kashyap
- [Wien] Option 8 in x optimize
Peter Blaha
- [Wien] parallel instalation of Wien2k: elpa, fftw
Ilias Miroslav, doc. RNDr., PhD.
- [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
- [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
- [Wien] parallel instalation of Wien2k: elpa, fftw
Israel Omar Perez Lopez
- [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
- [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
- [Wien] parallel instalation of Wien2k: elpa, fftw
Gavin Abo
- [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
- [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
- [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
- [Wien] parallel instalation of Wien2k: elpa, fftw
Laurence Marks
- [Wien] parallel instalation of Wien2k: elpa, fftw
Pavel Ondračka
- [Wien] Problem faced during elastic constant calculation using Elast package.
upasana Rani
- [Wien] Problem faced during elastic constant calculation using Elast package.
Gavin Abo
- [Wien] Problem faced during elastic constant calculation using Elast package.
upasana Rani
- [Wien] query regarding c/a optimization curve
shamik chakrabarti
- [Wien] query regarding c/a optimization curve
Laurence Marks
- [Wien] query regarding c/a optimization curve
Tomas Kana
- [Wien] query regarding c/a optimization curve
shamik chakrabarti
- [Wien] query regarding c/a optimization curve
Laurence Marks
- [Wien] Segmentation fault in w2w
Niraj Aryal
- [Wien] Segmentation fault in w2w
Rubel, Oleg
- [Wien] Segmentation fault in w2w
Laurence Marks
- [Wien] Segmentation fault in w2w
Gavin Abo
- [Wien] Segmentation fault in w2w
Niraj Aryal
- [Wien] Segmentation fault in w2w
Laurence Marks
- [Wien] Segmentation fault in w2w
Laurence Marks
- [Wien] ssh command in Wien2k scripts
Ilias Miroslav, doc. RNDr., PhD.
- [Wien] ssh command in Wien2k scripts
Laurence Marks
- [Wien] ssh command in Wien2k scripts
Peter Blaha
- [Wien] ssh command in Wien2k scripts
Gavin Abo
- [Wien] ssh command in Wien2k scripts
Laurence Marks
- [Wien] To count the no. of atom if occupancy is 0.5 - reg
Peter Blaha
- [Wien] unexpected error in SOC calculations for non spin-polarized case
tarek
- [Wien] unexpected error in SOC calculations for non spin-polarized case
Peter Blaha
- [Wien] unexpected error in SOC calculations for non spin-polarized case
Peter Blaha
- [Wien] unexpected error in SOC calculations for non spin-polarized case
Laurence Marks
- [Wien] unexpected error in SOC calculations for non spin-polarized case
Gavin Abo
- [Wien] unexpected error in SOC calculations for non spin-polarized case
Microsoft.com team
- [Wien] w2wc parallel
karima Physique
- [Wien] w2wc parallel
Rubel, Oleg
- [Wien] w2wc parallel
Laurence Marks
- [Wien] wien2wannier and local coordinate systems
Marcus Ekholm
Last message date:
Wed Sep 30 13:11:37 CEST 2020
Archived on: Wed Sep 30 13:11:58 CEST 2020
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