June 2017 Archives by thread

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Starting: Fri Jun 2 10:11:09 CEST 2017
Ending: Fri Jun 30 23:47:31 CEST 2017
Messages: 94

• [Wien] optimisation of a alloyed structure   fatima DFT
  • [Wien] optimisation of a alloyed structure   fatima DFT
  • [Wien] optimisation of a alloyed structure   Laurence Marks
    • [Wien] optimisation of a alloyed structure   fatima DFT
• [Wien] Exchange energy   Alex
  • [Wien] Exchange energy   Fecher, Gerhard
• [Wien] case.energy issue   fatima DFT
• [Wien] LDA+U approach   Bramhachari Khamari
  • [Wien] LDA+U approach   tran at theochem.tuwien.ac.at
• [Wien] Hybrid funtional   karima Physique
  • [Wien] Hybrid funtional   tran at theochem.tuwien.ac.at
    • [Wien] Hybrid funtional   karima Physique
• [Wien] kgen and kgen -fbz   Dr. K. C. Bhamu
• [Wien] Ferromagnetic compound has non-magnetic moments   Tim Hackett
  • [Wien] Ferromagnetic compound has non-magnetic moments   Xavier Rocquefelte
  • [Wien] Ferromagnetic compound has non-magnetic moments   Xavier Rocquefelte
    • [Wien] Ferromagnetic compound has non-magnetic moments   Tim Hackett
      • [Wien] Ferromagnetic compound has non-magnetic moments   Fecher, Gerhard
• [Wien] FHI-gap code   karima Physique
  • [Wien] FHI-gap code   karima Physique
  • [Wien] FHI-gap code   Gavin Abo
• [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
  • [Wien] Convergence problem in mbj potential calculation   Fecher, Gerhard
    • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
      • [Wien] Convergence problem in mbj potential calculation   Fecher, Gerhard
      • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
      • [Wien] Convergence problem in mbj potential calculation   Fecher, Gerhard
      • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
      • [Wien] Convergence problem in mbj potential calculation   Laurence Marks
      • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
      • [Wien] Convergence problem in mbj potential calculation   Laurence Marks
      • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
      • [Wien] Convergence problem in mbj potential calculation   Fecher, Gerhard
      • [Wien] Convergence problem in mbj potential calculation   Laurence Marks
      • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
      • [Wien] Convergence problem in mbj potential calculation   Fecher, Gerhard
      • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
      • [Wien] Convergence problem in mbj potential calculation   pieper
      • [Wien] Convergence problem in mbj potential calculation   Laurence Marks
      • [Wien] Convergence problem in mbj potential calculation   shamik chakrabarti
• [Wien] [test_results] kgen and kgen -fbz   Dr. K. C. Bhamu
• [Wien] Error in -eece calculation   shamik chakrabarti
• [Wien] estimation of magnetic susceptibility   Wien2k User
  • [Wien] estimation of magnetic susceptibility   Wien2k User
    • [Wien] estimation of magnetic susceptibility   Peter Blaha
    • [Wien] estimation of magnetic susceptibility   Wien2k User
      • [Wien] estimation of magnetic susceptibility   Wien2k User
• [Wien] Fwd: bug in relativistic decomposition in QTL?   Jindrich Kolorenc
  • [Wien] Fwd: bug in relativistic decomposition in QTL?   Peter Blaha
    • [Wien] Fwd: bug in relativistic decomposition in QTL?   Jindrich Kolorenc
      • [Wien] Fwd: bug in relativistic decomposition in QTL?   Peter Blaha
• [Wien] Bonding/antibonding orbital   Brik Hamida
• [Wien] OPTIC-HFSOC   Osama Yassin
  • [Wien] OPTIC-HFSOC   tran at theochem.tuwien.ac.at
• [Wien] Almost sure a bug exist in couplx.f of SRC_lapwdm for Wien2k_14.2   Yongxin Yao
  • [Wien] Almost sure a bug exist in couplx.f of SRC_lapwdm for Wien2k_14.2   Peter Blaha
• [Wien] השב: Re: estimation   zanov
• [Wien] How to extract lattice parameter as a function of pressure?   Nazia Erum
  • [Wien] How to extract lattice parameter as a function of pressure?   delamora
• [Wien] monoclinic optimize   Lyudmila Dobysheva
• [Wien] Fe2O3 with LSDA+U and -orbc   Osama Yassin
  • [Wien] Fe2O3 with LSDA+U and -orbc   Laurence Marks
    • [Wien] Fe2O3 with LSDA+U and -orbc   Osama Yassin
• [Wien] Problem Regarding SLATER Calculations   apande at iitk.ac.in
  • [Wien] Problem Regarding SLATER Calculations   tran at theochem.tuwien.ac.at
  • [Wien] Problem Regarding SLATER Calculations   apande at iitk.ac.in
    • [Wien] Problem Regarding SLATER Calculations   tran at theochem.tuwien.ac.at
  • [Wien] Problem Regarding SLATER Calculations   apande at iitk.ac.in
    • [Wien] Problem Regarding SLATER Calculations   tran at theochem.tuwien.ac.at
  • [Wien] Problem Regarding SLATER Calculations   apande at iitk.ac.in
    • [Wien] Problem Regarding SLATER Calculations   tran at theochem.tuwien.ac.at
  • [Wien] Problem Regarding SLATER Calculations   apande at iitk.ac.in
    • [Wien] Problem Regarding SLATER Calculations   tran at theochem.tuwien.ac.at
  • [Wien] Problem Regarding SLATER Calculations   apande at iitk.ac.in
    • [Wien] Problem Regarding SLATER Calculations   tran at theochem.tuwien.ac.at
      • [Wien] Problem Regarding SLATER Calculations   Gavin Abo
• [Wien] abnormal behaviour in lattice parameters with applied pressure   Dr. K. C. Bhamu
  • [Wien] abnormal behaviour in lattice parameters with applied pressure   Fecher, Gerhard
    • [Wien] abnormal behaviour in lattice parameters with applied pressure   Dr. K. C. Bhamu
• [Wien] symmetry broken for Cccm   mazin
  • [Wien] symmetry broken for Cccm   Laurence Marks
  • [Wien] symmetry broken for Cccm   Peter Blaha
• [Wien] The unit of -kbT option   Wien2k User
  • [Wien] The unit of -kbT option   Peter Blaha
• [Wien] Parallelization and PBS on a single computer   Yoji Kobayashi
  • [Wien] Parallelization and PBS on a single computer   Peter Blaha
  • [Wien] Parallelization and PBS on a single computer   Gavin Abo
  • [Wien] Parallelization and PBS on a single computer   Yoji Kobayashi
• [Wien] Wien2wanner wplot error   Avijeet Ray
• [Wien] help doping while preserving symmetry   Chouaib AHMANI FERDI
  • [Wien] help doping while preserving symmetry   Laurence Marks
• [Wien] Knight's Landing   Laurence Marks
• [Wien] error in vorb   shamik chakrabarti
• [Wien] Pbnma and Pna2_1 SG   Dr. K. C. Bhamu

Last message date: Fri Jun 30 23:47:31 CEST 2017
Archived on: Fri Jun 30 23:47:58 CEST 2017

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