December 2015 Archives by thread

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Starting: Tue Dec 1 03:00:25 CET 2015
Ending: Thu Dec 31 20:49:36 CET 2015
Messages: 166

• [Wien] SCF and symmetry   Bruno Landeros
  • [Wien] SCF and symmetry   Laurence Marks
  • [Wien] SCF and symmetry   Peter Blaha
  • [Wien] SCF and symmetry   Bruno Landeros
  • [Wien] SCF and symmetry   Bruno Landeros
    • [Wien] SCF and symmetry   Peter Blaha
  • [Wien] SCF and symmetry   Bruno Landeros
    • [Wien] SCF and symmetry   Peter Blaha
  • [Wien] SCF and symmetry   Bruno Landeros
  • [Wien] SCF and symmetry   Laurence Marks
    • [Wien] SCF and symmetry   Peter Blaha
      • [Wien] SCF and symmetry   Bruno Landeros
• [Wien] woptic: optical conductivity from Wien2k+many-body calculations   Elias Assmann
• [Wien] (no subject)   Dr. K. C. Bhamu
  • [Wien] (no subject)   Lyudmila Dobysheva
    • [Wien] (no subject)   Dr. K. C. Bhamu
      • [Wien] (no subject)   Fecher, Gerhard
      • [Wien] (no subject)   Dr. K. C. Bhamu
      • [Wien] (no subject)   Dr. K. C. Bhamu
  • [Wien] (no subject)   said chibani
    • [Wien] (no subject)   Tomas Kana
      • [Wien] (no subject)   said chibani
      • [Wien] (no subject)   Gavin Abo
      • [Wien] (no subject)   said chibani
      • [Wien] (no subject)   Gavin Abo
  • [Wien] (no subject)   mandeep hooda
    • [Wien] (no subject)   Dr. K. C. Bhamu
• [Wien] :FCHECK in Wien2k 13.1 vs. 14   Elias Assmann
• [Wien] Fwd: Strain   Muhammad Sajjad
  • [Wien] Fwd: Strain   Fecher, Gerhard
    • [Wien] Fwd: Strain   Muhammad Sajjad
      • [Wien] Fwd: Strain   Fecher, Gerhard
      • [Wien] Fwd: Strain   Muhammad Sajjad
      • [Wien] Fwd: Strain   pieper
      • [Wien] Fwd: Strain   Muhammad Sajjad
      • [Wien] Fwd: Strain   Tomas Kana
• [Wien] Formula full-potential   Tuan Vu
  • [Wien] Formula full-potential   tran at theochem.tuwien.ac.at
  • [Wien] Formula full-potential   Tuan Vu
    • [Wien] Formula full-potential   tran at theochem.tuwien.ac.at
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   tran at theochem.tuwien.ac.at
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Michael Sluydts
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Peter Blaha
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Peter Blaha
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Xavier Rocquefelte
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Peter Blaha
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Laurence Marks
      • [Wien] Graphene bandstructure   Islam, Md F
      • [Wien] Graphene bandstructure   Hajar Nejati
      • [Wien] Graphene bandstructure   Islam, Md F
  • [Wien] Formula full-potential   Tuan Vu
    • [Wien] Formula full-potential   delamora
      • [Wien] Formula full-potential   delamora
      • [Wien] Formula full-potential   Laurence Marks
• [Wien] DFT-D3 Forces   Bruno Landeros
  • [Wien] DFT-D3 Forces   tran at theochem.tuwien.ac.at
• [Wien] Issue with different convergence results and QTL-B warnings   Michał Wojciechowski
  • [Wien] Issue with different convergence results and QTL-B warnings   Lyudmila Dobysheva
    • [Wien] Issue with different convergence results and QTL-B warnings   Michał Wojciechowski
  • [Wien] Issue with different convergence results and QTL-B warnings   Peter Blaha
• [Wien] Correct band gap value   Muhammad Sajjad
  • [Wien] Correct band gap value   tran at theochem.tuwien.ac.at
    • [Wien] Correct band gap value   Muhammad Sajjad
      • [Wien] Correct band gap value   tran at theochem.tuwien.ac.at
      • [Wien] Correct band gap value   Muhammad Sajjad
      • [Wien] Correct band gap value   Fecher, Gerhard
      • [Wien] Correct band gap value   Muhammad Sajjad
      • [Wien] Correct band gap value   Muhammad Sajjad
      • [Wien] Correct band gap value   Fecher, Gerhard
• [Wien] Stress values   Muhammad Sajjad
  • [Wien] Stress values   Fecher, Gerhard
• [Wien] mBJ for FeO   John McLeod
  • [Wien] mBJ for FeO   tran at theochem.tuwien.ac.at
    • [Wien] mBJ for FeO   tran at theochem.tuwien.ac.at
      • [Wien] mBJ for FeO   John McLeod
• [Wien] msr1a: charged or uncharged supercell?   Yocefu Hattori
  • [Wien] msr1a: charged or uncharged supercell?   Laurence Marks
• [Wien] Another Question   Elias Assmann
• [Wien] MBJ, case.in0_grr   shima pourrad
  • [Wien] MBJ, case.in0_grr   tran at theochem.tuwien.ac.at
    • [Wien] MBJ, case.in0_grr   shima pourrad
      • [Wien] MBJ, case.in0_grr   tran at theochem.tuwien.ac.at
      • [Wien] Molecular dynamics using Wien2k   Guo-ping Zhang
      • [Wien] Molecular dynamics using Wien2k   Gavin Abo
      • [Wien] Molecular dynamics using Wien2k   Peter Blaha
      • [Wien] Forces and SO   Fecher, Gerhard
      • [Wien] Forces and SO   Peter Blaha
      • [Wien] Molecular dynamics using Wien2k   Guo-ping Zhang
      • [Wien] Molecular dynamics using Wien2k   Laurence Marks
      • [Wien] MBJ, case.in0_grr   shima pourrad
      • [Wien] MBJ, case.in0_grr   tran at theochem.tuwien.ac.at
      • [Wien] MBJ, case.in0_grr   shima pourrad
      • [Wien] MBJ, case.in0_grr   tran at theochem.tuwien.ac.at
      • [Wien] MBJ, case.in0_grr   shima pourrad
• [Wien] Energy gap zero in outputtrance file of Boltztrap calculation   saurabh singh
  • [Wien] Energy gap zero in outputtrance file of Boltztrap calculation   Gavin Abo
• [Wien] Orbital character at higher energy level above fermi   Santu Baidya
• [Wien] Elastic constant calculation for tetragonal system   Muhammad Sajjad
  • [Wien] Elastic constant calculation for tetragonal system   Tomas Kana
    • [Wien] Elastic constant calculation for tetragonal system   Muhammad Sajjad
      • [Wien] Elastic constant calculation for tetragonal system   Muhammad Sajjad
• [Wien] libbls.so.3 Error in running Boltztrap code   saurabh singh
  • [Wien] libbls.so.3 Error in running Boltztrap code   Pavel Ondračka
• [Wien] Spaghetti_ene   Adam Bakheet
  • [Wien] Spaghetti_ene   Elias Assmann
    • [Wien] Spaghetti_ene   Adam Bakheet
• [Wien] RE : Spaghetti_ene   kadda AMARA
• [Wien] Density matrix and DOS plot   SOHAN LAL
• [Wien] ELASTIC CONSTANTS OF CUBIC COMPOUND   Nazia Erum
  • [Wien] ELASTIC CONSTANTS OF CUBIC COMPOUND   Muhammad Sajjad
    • [Wien] Space Group 12 C2/m   delamora
• [Wien] case.qtlup/dn files were empty   venkatesh chandragiri
  • [Wien] case.qtlup/dn files were empty   Elias Assmann
• [Wien] HF eqivalent to HSEsol   kadda AMARA
  • [Wien] HF eqivalent to HSEsol   tran at theochem.tuwien.ac.at
  • [Wien] HF eqivalent to HSEsol   kadda AMARA
• [Wien] wien2k workshop 2016   Peter Blaha
• [Wien] Error in initialization stage   Hu, Wenhao
  • [Wien] Error in initialization stage   Peter Blaha
• [Wien] Magnetostriction   Tarek Hammad
• [Wien] relaxation of atomic positions with the full hybrid functionals   kadda AMARA
  • [Wien] relaxation of atomic positions with the full hybrid functionals   delamora
  • [Wien] relaxation of atomic positions with the full hybrid functionals   kadda AMARA
    • [Wien] relaxation of atomic positions with the full hybrid functionals   delamora
      • [Wien] relaxation of atomic positions with the full hybrid functionals   delamora
    • [Wien] relaxation of atomic positions with the full hybrid functionals   tran at theochem.tuwien.ac.at
• [Wien] lattice change mBJ+SO   emami seyyed amir abbas
  • [Wien] lattice change mBJ+SO   tran at theochem.tuwien.ac.at
• [Wien] difference between Wien2k tar file and wien2k executable file   Dr. K. C. Bhamu
  • [Wien] difference between Wien2k tar file and wien2k executable file   Gavin Abo
    • [Wien] difference between Wien2k tar file and wien2k executable file   Dr. K. C. Bhamu
      • [Wien] difference between Wien2k tar file and wien2k executable file   Gavin Abo
• [Wien] Case.in1   Tarek Hammad
  • [Wien] Case.in1   tran at theochem.tuwien.ac.at
    • [Wien] Case.in1   Tarek Hammad
• [Wien] uplapw1.error for SO   Tarek Hammad
  • [Wien] uplapw1.error for SO   Gavin Abo
• [Wien] In1.file   Tarek Hammad
  • [Wien] In1.file   Gavin Abo
    • [Wien] case.inso   Tarek Hammad
      • [Wien] case.inso   delamora
      • [Wien] case.inso   Tarek Hammad
      • [Wien] case.inso   delamora
      • [Wien] case.inso   Gavin Abo
• [Wien] A basic question on QTL-B   Hu, Wenhao
  • [Wien] A basic question on QTL-B   Peter Blaha
  • [Wien] A basic question on QTL-B   Hu, Wenhao
• [Wien] Values magnetic field   Tuan Vu
• [Wien] Regarding doping   mandeep hooda
  • [Wien] Regarding doping   delamora
• [Wien] Regarding the "configure_init_lapw"....!   Mian Fayyaz Ahmad
• [Wien] gap problem in GGA+ U calculation of AFM NiO   Soumen Bag
  • [Wien] gap problem in GGA+ U calculation of AFM NiO   Peter Blaha
    • [Wien] gap problem in GGA+ U calculation of AFM NiO   Soumen Bag
• [Wien] ordered or disordered alloy   Sahra Sahraii
  • [Wien] ordered or disordered alloy   Laurence Marks
• [Wien] ghost band error with mbj potential   shamik chakrabarti
  • [Wien] ghost band error with mbj potential   Laurence Marks

Last message date: Thu Dec 31 20:49:36 CET 2015
Archived on: Thu Dec 31 20:50:03 CET 2015

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