November 2019 Archives by thread

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Starting: Fri Nov 1 02:51:23 CET 2019
Ending: Wed Nov 27 17:24:43 CET 2019
Messages: 179

• [Wien] Error in initialization step for Si example   Eesha Andharia
  • [Wien] Error in initialization step for Si example   Laurence Marks
  • [Wien] Error in initialization step for Si example   Peter Blaha
• [Wien] wien2k installation: XSEDE   BUSHRA SABIR
  • [Wien] wien2k installation: XSEDE   Peter Blaha
    • [Wien] wien2k installation: XSEDE   Dr. K. C. Bhamu
      • [Wien] wien2k installation: XSEDE   Gavin Abo
      • [Wien] wien2k installation: XSEDE   Gavin Abo
• [Wien] How to calculate Optical properties with hf potential   Peeyush kumar kamlesh
  • [Wien] How to calculate Optical properties with hf potential   Tran, Fabien
• [Wien] Error bar and systematic and statistical error   mitra narimani
  • [Wien] Error bar and systematic and statistical error   Laurence Marks
  • [Wien] Error bar and systematic and statistical error   mitra narimani
• [Wien] BoltzTrap2 with hf potential   Peeyush kumar kamlesh
  • [Wien] BoltzTrap2 with hf potential   Gavin Abo
• [Wien] Error in joint when calculating XMCD spectra   Suresh R
  • [Wien] Error in joint when calculating XMCD spectra   Gavin Abo
• [Wien] Open core treatment for 4f insulators   Abhijit B K
  • [Wien] Open core treatment for 4f insulators   Laurence Marks
• [Wien] Band structure sensitivity to RMT reduction   Oleg Rubel
  • [Wien] Band structure sensitivity to RMT reduction   Laurence Marks
    • [Wien] Band structure sensitivity to RMT reduction   Oleg Rubel
      • [Wien] Band structure sensitivity to RMT reduction   Fecher, Gerhard
      • [Wien] Band structure sensitivity to RMT reduction   Laurence Marks
      • [Wien] Band structure sensitivity to RMT reduction   Peter Blaha
      • [Wien] Band structure sensitivity to RMT reduction   Oleg Rubel
• [Wien] RMT and NMR shift   林敏
  • [Wien] RMT and NMR shift   Gavin Abo
• [Wien] NMR CS calculations of black phosphorus   林敏
  • [Wien] NMR CS calculations of black phosphorus   林敏
• [Wien] DFT+U method (f-electron system)   OCHIRKHUYAG
• [Wien] Volume optimization   prasad jayasena
  • [Wien] Volume optimization   Laurence Marks
    • [Wien] Volume optimization   Fecher, Gerhard
      • [Wien] Volume optimization   prasad jayasena
      • [Wien] Volume optimization   prasad jayasena
      • [Wien] Volume optimization   Tomas Kana
      • [Wien] Volume optimization   Tomas Kana
      • [Wien] Volume optimization   Badis Bennecer
• [Wien] error in analysing data from elastic_1.1m package   Dr. K. C. Bhamu
  • [Wien] error in analysing data from elastic_1.1m package   Gavin Abo
    • [Wien] error in analysing data from elastic_1.1m package   Dr. K. C. Bhamu
• [Wien] Sub: Error during initialization calc in wien2k   Prakash G
  • [Wien] Sub: Error during initialization calc in wien2k   Fecher, Gerhard
  • [Wien] Interplane distance optimization for graphite   delamora
    • [Wien] Interplane distance optimization for graphite   Tran, Fabien
• [Wien] help   Prakash G
  • [Wien] help   Prakash Govindaraj
    • [Wien] help   Fecher, Gerhard
  • [Wien] help   Prakash Govindaraj
    • [Wien] help   Gavin Abo
• [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
  • [Wien] Beween non spin polarized and spin polarized calculations   Tran, Fabien
  • [Wien] Beween non spin polarized and spin polarized calculations   Fecher, Gerhard
  • [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
  • [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
  • [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
    • [Wien] Beween non spin polarized and spin polarized calculations   Tran, Fabien
  • [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
    • [Wien] Beween non spin polarized and spin polarized calculations   Tran, Fabien
    • [Wien] Beween non spin polarized and spin polarized calculations   Peter Blaha
  • [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
  • [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
    • [Wien] Beween non spin polarized and spin polarized calculations   Xavier Rocquefelte
  • [Wien] Beween non spin polarized and spin polarized calculations   Abderrahmane Reggad
    • [Wien] Beween non spin polarized and spin polarized calculations   djamel slamnia
      • [Wien] Beween non spin polarized and spin polarized calculations   Laurence Marks
      • [Wien] Beween non spin polarized and spin polarized calculations   Tran, Fabien
      • [Wien] Beween non spin polarized and spin polarized calculations   djamel slamnia
      • [Wien] Beween non spin polarized and spin polarized calculations   Xavier Rocquefelte
      • [Wien] Beween non spin polarized and spin polarized calculations   djamel slamnia
      • [Wien] Beween non spin polarized and spin polarized calculations   Laurence Marks
      • [Wien] Beween non spin polarized and spin polarized calculations   Xavier Rocquefelte
      • [Wien] Beween non spin polarized and spin polarized calculations   djamel slamnia
      • [Wien] Beween non spin polarized and spin polarized calculations   Laurence Marks
      • [Wien] Beween non spin polarized and spin polarized calculations   Peter Blaha
      • [Wien] Beween non spin polarized and spin polarized calculations   djamel slamnia
      • [Wien] Beween non spin polarized and spin polarized calculations   Xavier Rocquefelte
      • [Wien] Beween non spin polarized and spin polarized calculations   djamel slamnia
      • [Wien] Beween non spin polarized and spin polarized calculations   Xavier Rocquefelte
      • [Wien] Beween non spin polarized and spin polarized calculations   djamel slamnia
• [Wien] new mBJ parameters (PHYSICAL REVIEW B99, 035139 (2019))   Dr. K. C. Bhamu
  • [Wien] new mBJ parameters (PHYSICAL REVIEW B99, 035139 (2019))   Tran, Fabien
• [Wien] Bandstructure with SOC   prasad jayasena
  • [Wien] Bandstructure with SOC   Karel Vyborny
    • [Wien] Bandstructure with SOC   prasad jayasena
  • [Wien] Bandstructure with SOC   Oleg Rubel
    • [Wien] Bandstructure with SOC   prasad jayasena
      • [Wien] Bandstructure with SOC   Oleg Rubel
  • [Wien] Bandstructure with SOC   Peter Blaha
    • [Wien] Bandstructure with SOC   prasad jayasena
• [Wien] Bug in WIEN2k for more than 100 atoms running with SOC+OP   Hernandez, Sarah Christine
  • [Wien] Bug in WIEN2k for more than 100 atoms running with SOC+OP   Gavin Abo
    • [Wien] Bug in WIEN2k for more than 100 atoms running with SOC+OP   Gavin Abo
      • [Wien] Bug in WIEN2k for more than 100 atoms running with SOC+OP   Gavin Abo
      • [Wien] Bug in WIEN2k for more than 100 atoms running with SOC+OP   Gavin Abo
• [Wien] cannot touch '/optics.symmat': Read-only file system   Oleg Rubel
  • [Wien] cannot touch '/optics.symmat': Read-only file system   Oleg Rubel
    • [Wien] cannot touch '/optics.symmat': Read-only file system   Gavin Abo
  • [Wien] cannot touch '/optics.symmat': Read-only file system   Peter Blaha
    • [Wien] cannot touch '/optics.symmat': Read-only file system   Oleg Rubel
• [Wien] B3LYP calculation   Santanu Pathak
  • [Wien] B3LYP calculation   Santanu Pathak
    • [Wien] B3LYP calculation   Santanu Pathak
  • [Wien] B3LYP calculation   Peter Blaha
• [Wien] error in elastic calculation   prasad jayasena
  • [Wien] error in elastic calculation   prasad jayasena
    • [Wien] error in elastic calculation   Peter Blaha
      • [Wien] error in elastic calculation   prasad jayasena
• [Wien] About EFG   Ashwani Kumar
  • [Wien] About EFG   Stefaan Cottenier
  • [Wien] About EFG   Ashwani Kumar
    • [Wien] About EFG   Stefaan Cottenier
• [Wien] How to fit the E(M) results using the FSM procedure ?   Abderrahmane Reggad
  • [Wien] How to fit the E(M) results using the FSM procedure ?   Peter Blaha
  • [Wien] How to fit the E(M) results using the FSM procedure ?   Abderrahmane Reggad
    • [Wien] How to fit the E(M) results using the FSM procedure ?   Peter Blaha
  • [Wien] How to fit the E(M) results using the FSM procedure ?   Abderrahmane Reggad
• [Wien] Minor bug in sumpara_vresp, Wien2k 19.1   Laurence Marks
• [Wien] Generating the klist for Si in perpendicular direction to Gamma-X lines   Bara abujafar
  • [Wien] Generating the klist for Si in perpendicular direction to Gamma-X lines   Peter Blaha
    • [Wien] Generating the klist for Si in perpendicular direction to Gamma-X lines   Oleg Rubel
• [Wien] Bug for RLOs (relativistic LOs) in lapw2   Peter Blaha
• [Wien] [SPAM?] Should the valence electrons configuration of charge transfer insulators be changed ?   丁一凡
  • [Wien] [SPAM?] Should the valence electrons configuration of charge transfer insulators be changed ?   Laurence Marks
  • [Wien] [SPAM?] Should the valence electrons configuration of charge transfer insulators be changed ?   丁一凡
  • [Wien] [SPAM?] Should the valence electrons configuration of charge transfer insulators be changed ?   Peter Blaha
    • [Wien] [SPAM?] Should the valence electrons configuration of charge transfer insulators be changed ?   Laurence Marks
  • [Wien] [SPAM?] Should the valence electrons configuration of charge transfer insulators be changed ?   丁一凡
    • [Wien] [SPAM?] Should the valence electrons configuration of charge transfer insulators be changed ?   Peter Blaha
• [Wien] Should the valence electrons configuration of charge transfer insulators be changed ?   丁一凡
  • [Wien] Should the valence electrons configuration of charge transfer insulators be changed ?   Laurence Marks
  • [Wien] Should the valence electrons configuration of charge transfer insulators be changed ?   丁一凡
    • [Wien] Should the valence electrons configuration of charge transfer insulators be changed ?   Laurence Marks
  • [Wien] Should the valence electrons configuration of charge transfer insulators be changed ?   丁一凡
• [Wien] How to do a spin polarized calculation from a non spin spolarized calculation ?   Abderrahmane Reggad
  • [Wien] How to do a spin polarized calculation from a non spin spolarized calculation ?   Peter Blaha
    • [Wien] How to do a spin polarized calculation from a non spin spolarized calculation ?   Laurence Marks
  • [Wien] How to do a spin polarized calculation from a non spin spolarized calculation ?   Abderrahmane Reggad
• [Wien] Problem in Bandstructure plot   Peeyush kumar kamlesh
  • [Wien] Problem in Bandstructure plot   Dr. K. C. Bhamu
  • [Wien] Problem in Bandstructure plot   Tran, Fabien
  • [Wien] Problem in Bandstructure plot   Peeyush kumar kamlesh
    • [Wien] Problem in Bandstructure plot   Tran, Fabien
      • [Wien] Problem in Bandstructure plot   djamel slamnia
  • [Wien] Problem in Bandstructure plot   Peeyush kumar kamlesh
    • [Wien] Problem in Bandstructure plot   Peeyush kumar kamlesh
      • [Wien] Problem in Bandstructure plot   Tran, Fabien
      • [Wien] Problem in Bandstructure plot   Peeyush kumar kamlesh
• [Wien] Is it possible to do parallel calculation with the FSM procedure ?   Abderrahmane Reggad
  • [Wien] Is it possible to do parallel calculation with the FSM procedure ?   Laurence Marks
  • [Wien] Is it possible to do parallel calculation with the FSM procedure ?   Gavin Abo
• [Wien] How to make our package referenced in the articles?   Abderrahmane Reggad
  • [Wien] How to make our package referenced in the articles?   Gavin Abo
    • [Wien] How to make our package referenced in the articles?   djamel slamnia
  • [Wien] How to make our package referenced in the articles?   Abderrahmane Reggad
• [Wien] Spin expectation values   Artem Tarasov
  • [Wien] Spin expectation values   Peter Blaha
• [Wien] lapw2 crashed error   Peeyush kumar kamlesh
  • [Wien] lapw2 crashed error   Tran, Fabien
    • [Wien] lapw2 crashed error   Laurence Marks
  • [Wien] lapw2 crashed error   Peeyush kumar kamlesh
    • [Wien] lapw2 crashed error   Pavel Ondračka
    • [Wien] lapw2 crashed error   Peeyush kumar kamlesh
      • [Wien] lapw2 crashed error   Gavin Abo
  • [Wien] lapw2 crashed error   Gavin Abo
• [Wien] Error in Parallel LAPW1   Hanning Chen
  • [Wien] Error in Parallel LAPW1   Laurence Marks
• [Wien] Spin-orbit coupling SCF not converging   Luigi Maduro - TNW
  • [Wien] Spin-orbit coupling SCF not converging   Laurence Marks
  • [Wien] Spin-orbit coupling SCF not converging   Peter Blaha
  • [Wien] Spin-orbit coupling SCF not converging   Laurence Marks
  • [Wien] Spin-orbit coupling SCF not converging   Laurence Marks
    • [Wien] Spin-orbit coupling SCF not converging   Laurence Marks
    • [Wien] Spin-orbit coupling SCF not converging   Laurence Marks
• [Wien] MPI parallelization failure for lapw1   Hanning Chen
  • [Wien] MPI parallelization failure for lapw1   Laurence Marks
  • [Wien] MPI parallelization failure for lapw1   Peter Blaha
• [Wien] Fwd: Re: Spin-orbit coupling SCF not converging   Peter Blaha

Last message date: Wed Nov 27 17:24:43 CET 2019
Archived on: Wed Nov 27 17:24:57 CET 2019

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