December 2016 Archives by thread

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Starting: Thu Dec 1 08:06:36 CET 2016
Ending: Sat Dec 31 17:27:40 CET 2016
Messages: 184

• [Wien] initso and symmetso (NO inversion symmetry)/ too high symmetry   Fecher, Gerhard
• [Wien] not getting case.epsilon and other optic output files   Dr. K. C. Bhamu
• [Wien] Hubbard potential for Ru   Krishnaveni. S
• [Wien] Ruthenium based Heusler Alloys - Hubbard potential   Krishnaveni. S
• [Wien] Constrained U Calculations   Krishnaveni. S
• [Wien] could not understand how to apply scissors operator even after going through UG and mailing list   Dr. K. C. Bhamu
• [Wien] [partially solved] help is needed for case.inkram file (scissors operator)   Dr. K. C. Bhamu
  • [Wien] [partially solved] help is needed for case.inkram file (scissors operator)   Xavier Rocquefelte
• [Wien] How to include the localized d orbitals in the atomic spheres?   Elias Assmann
• [Wien] Parallel execution in clusters   Rajiv Chouhan
  • [Wien] Parallel execution in clusters   MCDERMOTT Eamon 250772
• [Wien] Can we eliminate the correlation-exchange effect   Abderrahmane Reggad
  • [Wien] Can we eliminate the correlation-exchange effect   Abderrahmane Reggad
• [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier   Dara Goldar
  • [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier   Elias Assmann
    • [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier   Dara Goldar
      • [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier   Elias Assmann
      • [Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier   Dara Goldar
• [Wien] WIEN2k and gfortran   John Rundgren
  • [Wien] Tb metal   Guo-ping Zhang
    • [Wien] Tb metal   Peter Blaha
  • [Wien] Tb metal   Laurence Marks
    • [Wien] Tb metal   Guo-ping Zhang
  • [Wien] WIEN2k and gfortran   Peter Blaha
    • [Wien] WIEN2k and gfortran   John Rundgren
      • [Wien] WIEN2k and gfortran   Pavel Ondračka
  • [Wien] WIEN2k and gfortran   Niedermayr, Arthur
    • [Wien] WIEN2k and gfortran   John Rundgren
  • [Wien] WIEN2k and gfortran   Martin Kroeker
• [Wien] Ir   delamora
  • [Wien] struct file   delamora
    • [Wien] struct file   Gavin Abo
      • [Wien] struct file   Fecher, Gerhard
      • [Wien] struct file   delamora
• [Wien] WIEN2k and gfortran II   John Rundgren
  • [Wien] WIEN2k and gfortran II   Niedermayr, Arthur
  • [Wien] WIEN2k and gfortran II   Peter Blaha
  • [Wien] WIEN2k and gfortran II   Laurence Marks
  • [Wien] WIEN2k and gfortran II   Martin Kroeker
• [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice   Osama Yassin
  • [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice   Sam Trickey
    • [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice   Osama Yassin
  • [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice   Peter Blaha
• [Wien] lapwso_mpi error   Md. Fhokrul Islam
  • [Wien] lapwso_mpi error   Peter Blaha
    • [Wien] MPI error with 2 nodes (40 cores)   Md. Fhokrul Islam
• [Wien] PhD position in Vienna with Prof. G. Madsen   Peter Blaha
• [Wien] Hi calculation elastic constants of hexagonal structure error   guendouz nadin
  • [Wien] Hi calculation elastic constants of hexagonal structure error   delamora
  • [Wien] Hi calculation elastic constants of hexagonal structure error   Gavin Abo
• [Wien] Which formalism is adopted in the DFT+U method   Abderrahmane Reggad
  • [Wien] Which formalism is adopted in the DFT+U method   Fecher, Gerhard
  • [Wien] Which formalism is adopted in the DFT+U method   Abderrahmane Reggad
• [Wien] WIEN2k_16   Peter Blaha
  • [Wien] WIEN2k_16   delamora
  • [Wien] WIEN2k_16   Laurence Marks
    • [Wien] WIEN2k_16   delamora
      • [Wien] WIEN2k_16   delamora
      • [Wien] WIEN2k_16   Peter Blaha
      • [Wien] WIEN2k_16   delamora
      • [Wien] WIEN2k_16   delamora
  • [Wien] wien2wannier in WIEN2k_16   Elias Assmann
  • [Wien] WIEN2k_16   Martin Kroeker
    • [Wien] WIEN2k_16   delamora
      • [Wien] WIEN2k_16   delamora
      • [Wien] WIEN2k_16   delamora
      • [Wien] WIEN2k_16   delamora
  • [Wien] WIEN2k_16   Martin Kroeker
    • [Wien] WIEN2k_16   Peter Blaha
      • [Wien] WIEN2k_16   Elias Assmann
    • [Wien] WIEN2k_16   Elias Assmann
      • [Wien] w2w compilation problem during siteconfig   Fecher, Gerhard
      • [Wien] w2w compilation problem during siteconfig   Elias Assmann
      • [Wien] w2w compilation problem during siteconfig   Fecher, Gerhard
      • [Wien] w2w compilation problem during siteconfig   Peter Blaha
      • [Wien] w2w compilation problem during siteconfig   Fecher, Gerhard
      • [Wien] w2w compilation problem during siteconfig   Elias Assmann
      • [Wien] w2w compilation problem during siteconfig   Fecher, Gerhard
      • [Wien] w2w compilation problem during siteconfig   Elias Assmann
      • [Wien] w2w compilation problem during siteconfig   Fecher, Gerhard
      • [Wien] w2w compilation problem during siteconfig   Elias Assmann
• [Wien] [wien2wannier] unit of |w(r)|^2 in case.xsf and case.psink   Xu Wenhu
  • [Wien] [wien2wannier] unit of |w(r)|^2 in case.xsf and case.psink   Elias Assmann
• [Wien] volume optimization   Rajneesh Chaurasiya
  • [Wien] volume optimization   Víctor Luaña Cabal
  • [Wien] volume optimization   Rajneesh Chaurasiya
    • [Wien] volume optimization   tran at theochem.tuwien.ac.at
• [Wien] Wien2k 16 siteconfig_lapw error   Kefeng Wang
  • [Wien] Wien2k 16 siteconfig_lapw error   Peter Blaha
    • [Wien] Wien2k 16 siteconfig_lapw error   Ingo Loa
      • [Wien] Wien2k 16 siteconfig_lapw error   Peter Blaha
  • [Wien] Wien2k 16 siteconfig_lapw error   Martin Kroeker
  • [Wien] Wien2k 16 siteconfig_lapw error   Martin Kroeker
• [Wien] incorrect band splitting when RLO added for a system with spatial inversion   Martin Gmitra
  • [Wien] incorrect band splitting when RLO added for a system with spatial inversion   Peter Blaha
  • [Wien] incorrect band splitting when RLO added for a system with spatial inversion   Martin Gmitra
    • [Wien] incorrect band splitting when RLO added for a system with spatial inversion   Peter Blaha
  • [Wien] incorrect band splitting when RLO added for a system with spatial inversion   Martin Gmitra
    • [Wien] incorrect band splitting when RLO added for a system with spatial inversion   Peter Blaha
• [Wien] The self-interaction-correction still exists for U=0   Abderrahmane Reggad
  • [Wien] The self-interaction-correction still exists for U=0   Abderrahmane Reggad
    • [Wien] The self-interaction-correction still exists for U=0   Peter Blaha
  • [Wien] The self-interaction-correction still exists for U=0   Abderrahmane Reggad
  • [Wien] The self-interaction-correction still exists for U=0   Abderrahmane Reggad
    • [Wien] The self-interaction-correction still exists for U=0   Fecher, Gerhard
  • [Wien] The self-interaction-correction still exists for U=0   Abderrahmane Reggad
• [Wien] x optic error   Rajneesh Chaurasiya
• [Wien] wien2wannier with SOC in WIEN2k 16.1   Kefeng Wang
  • [Wien] wien2wannier with SOC in WIEN2k 16.1   Elias Assmann
    • [Wien] wien2wannier with SOC in WIEN2k 16.1   Peter Blaha
  • [Wien] wien2wannier with SOC in WIEN2k 16.1   Elias Assmann
  • [Wien] wien2wannier with SOC in WIEN2k 16.1   Kefeng Wang
    • [Wien] wien2wannier with SOC in WIEN2k 16.1   Elias Assmann
      • [Wien] wien2wannier with SOC in WIEN2k 16.1   Fecher, Gerhard
• [Wien] bad labeling for ISPLIT=-2?   Pavel Ondračka
  • [Wien] bad labeling for ISPLIT=-2?   Peter Blaha
• [Wien] Hybrid functionals and SO   Luis Ogando
  • [Wien] Hybrid functionals and SO   tran at theochem.tuwien.ac.at
• [Wien] maximum number of inequivalent k-points in case.outputkgen   Arena Konta
  • [Wien] maximum number of inequivalent k-points in case.outputkgen   Martin Kroeker
  • [Wien] maximum number of inequivalent k-points in case.outputkgen   Peter Blaha
  • [Wien] maximum number of inequivalent k-points in case.outputkgen   Arena Konta
    • [Wien] maximum number of inequivalent k-points in case.outputkgen   Arena Konta
    • [Wien] maximum number of inequivalent k-points in case.outputkgen   Peter Blaha
  • [Wien] maximum number of inequivalent k-points in case.outputkgen   Martin Kroeker
• [Wien] init_lapw (kgen) problem in WIEN2k_16   kadda AMARA
  • [Wien] init_lapw (kgen) problem in WIEN2k_16   Lyudmila Dobysheva
  • [Wien] init_lapw (kgen) problem in WIEN2k_16   kadda AMARA
• [Wien] FW: bad labeling for ISPLIT=-2?   Pavel Ondračka
• [Wien] Energy for optical.properties   ben amara imen
  • [Wien] Energy for optical.properties   Karel Vyborny
• [Wien] Convergence problem within the method GGA+U   Abderrahmane Reggad
  • [Wien] Convergence problem within the method GGA+U   Abderrahmane Reggad
    • [Wien] Convergence problem within the method GGA+U   Fecher, Gerhard
      • [Wien] Convergence problem within the method GGA+U   Fecher, Gerhard
  • [Wien] Convergence problem within the method GGA+U   Fecher, Gerhard
  • [Wien] Convergence problem within the method GGA+U   Abderrahmane Reggad
    • [Wien] Convergence problem within the method GGA+U   Peter Blaha
    • [Wien] Convergence problem within the method GGA+U   Fecher, Gerhard
  • [Wien] Convergence problem within the method GGA+U   Abderrahmane Reggad
  • [Wien] Convergence problem within the method GGA+U   Abderrahmane Reggad
• [Wien] mpi compilation problem   cesar
  • [Wien] mpi compilation problem   Ruh Thomas
  • [Wien] mpi compilation problem   Peter Blaha
    • [Wien] mpi compilation problem   César
• [Wien] Compilation error with libxc   Dr. K. C. Bhamu
  • [Wien] Compilation error with libxc   Nacir GUECHI
  • [Wien] Compilation error with libxc   Peter Blaha
    • [Wien] Compilation error with libxc   Dr. K. C. Bhamu
• [Wien] Requesting Wien2k program   Sanae Zriouel
  • [Wien] Requesting Wien2k program   Sanae Zriouel
    • [Wien] Requesting Wien2k program   delamora
• [Wien] Regarding change of stoichiometry formula   mandeep hooda
  • [Wien] Regarding change of stoichiometry formula   delamora
    • [Wien] Regarding change of stoichiometry formula   Fecher, Gerhard
      • [Wien] Regarding change of stoichiometry formula   delamora
      • [Wien] Regarding change of stoichiometry formula   delamora
      • [Wien] Regarding change of stoichiometry formula   delamora
• [Wien] L2main - QTL-B Error   Rajneesh Chaurasiya
  • [Wien] L2main - QTL-B Error   Peter Blaha
• [Wien] Optic error   GOUTAM KUMAR GUPTA
  • [Wien] Optic error   Peter Blaha
    • [Wien] Optic error   GOUTAM KUMAR GUPTA
• [Wien] Unmatched from x_lapw   Gavin Abo
  • [Wien] Unmatched from x_lapw   Dr. K. C. Bhamu
    • [Wien] Unmatched from x_lapw   Gavin Abo
• [Wien] [Solved] Unmatched from x_lapw   Dr. K. C. Bhamu
• [Wien] case.scfdmup': No such file or directory   Dr. K. C. Bhamu
  • [Wien] case.scfdmup': No such file or directory   Laurence Marks
    • [Wien] case.scfdmup': No such file or directory   Dr. K. C. Bhamu
• [Wien] Different convergences in Non-SP and SP methods   Abderrahmane Reggad
  • [Wien] Different convergences in Non-SP and SP methods   Abderrahmane Reggad
• [Wien] Fwd: Ghost band error in volume optimization of TiO2   shamik chakrabarti
  • [Wien] Fwd: Ghost band error in volume optimization of TiO2   Peter Blaha
    • [Wien] Fwd: Ghost band error in volume optimization of TiO2   shamik chakrabarti
      • [Wien] Fwd: Ghost band error in volume optimization of TiO2   Gavin Abo
      • [Wien] Fwd: Ghost band error in volume optimization of TiO2   shamik chakrabarti
• [Wien] dftd3 in wien2k_14   Guangqian Ding
  • [Wien] dftd3 in wien2k_14   tran at theochem.tuwien.ac.at
• [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION   Dr. K. C. Bhamu
  • [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION   delamora
    • [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION   Dr. K. C. Bhamu
      • [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION   delamora
      • [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION   Víctor Luaña Cabal

Last message date: Sat Dec 31 17:27:40 CET 2016
Archived on: Sat Dec 31 17:39:15 CET 2016

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