May 2015 Archives by thread

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Starting: Fri May 1 09:00:43 CEST 2015
Ending: Sun May 31 08:21:55 CEST 2015
Messages: 198

• [Wien] Regarding electron density calculations   Mamta Chauhan
  • [Wien] Regarding electron density calculations   Víctor Luaña Cabal
    • [Wien] Regarding electron density calculations   Michael Sluydts
      • [Wien] Regarding electron density calculations   Víctor Luaña Cabal
      • [Wien] Regarding electron density calculations   Stefaan Cottenier
      • [Wien] Regarding electron density calculations   Víctor Luaña Cabal
      • [Wien] Regarding electron density calculations   Laurence Marks
• [Wien] Position of Atoms in AFM calculation.   Murugan Sundareswari
  • [Wien] Position of Atoms in AFM calculation.   Víctor Luaña Cabal
    • [Wien] Position of Atoms in AFM calculation.   delamora
      • [Wien] Position of Atoms in AFM calculation.   Fecher, Gerhard
      • [Wien] Position of Atoms in AFM calculation.   delamora
    • [Wien] Position of Atoms in AFM calculation.   白英良
  • [Wien] Position of Atoms in AFM calculation.   Fecher, Gerhard
  • [Wien] Position of Atoms in AFM calculation.   Abed Reg
    • [Wien] Position of Atoms in AFM calculation.   Fecher, Gerhard
• [Wien] Bandstructure Plot Splits   Ryky Nelson
  • [Wien] Bandstructure Plot Splits   Peter Blaha
    • [Wien] Bandstructure Plot Splits   Ryky Nelson
• [Wien] Hubbard U and mBJ   delamora
  • [Wien] Hubbard U and mBJ   delamora
    • [Wien] Hubbard U and mBJ   tran at theochem.tuwien.ac.at
      • [Wien] Hubbard U and mBJ   delamora
• [Wien] Symmetry related   Lawal Mohammed
  • [Wien] Symmetry related   Víctor Luaña Cabal
    • [Wien] Symmetry related   Lawal Mohammed
• [Wien] Physical significance of magnetization direction with -so   Laurence Marks
  • [Wien] Physical significance of magnetization direction with -so   Fecher, Gerhard
  • [Wien] Physical significance of magnetization direction with -so   Laurence Marks
    • [Wien] Physical significance of magnetization direction with -so   Fecher, Gerhard
  • [Wien] Physical significance of magnetization direction with -so   pieper
• [Wien] Error in mpi+k point parallelization across multiple nodes   lung Fermin
  • [Wien] Error in mpi+k point parallelization across multiple nodes   Laurence Marks
  • [Wien] Error in mpi+k point parallelization across multiple nodes   Peter Blaha
  • [Wien] Error in mpi+k point parallelization across multiple nodes   lung Fermin
    • [Wien] Error in mpi+k point parallelization across multiple nodes   Peter Blaha
      • [Wien] Error in mpi+k point parallelization across multiple nodes   Gavin Abo
      • [Wien] Error in mpi+k point parallelization across multiple nodes   Laurence Marks
  • [Wien] Error in mpi+k point parallelization across multiple nodes   lung Fermin
    • [Wien] Error in mpi+k point parallelization across multiple nodes   Gavin Abo
  • [Wien] Error in mpi+k point parallelization across multiple nodes   lung Fermin
    • [Wien] Error in mpi+k point parallelization across multiple nodes   Gavin Abo
• [Wien] Problem with qrsh -V -INHERIT in wien2k 13   cesar
• [Wien] trouble with generating rxesw file   Tolhurst, Thomas
  • [Wien] trouble with generating rxesw file   Gavin Abo
    • [Wien] trouble with generating rxesw file   Tolhurst, Thomas
• [Wien] A few (more) elementary -so questions (with onsite -eece)   Laurence Marks
  • [Wien] A few (more) elementary -so questions (with onsite -eece)   Laurence Marks
    • [Wien] A few (more) elementary -so questions (with onsite -eece)   Laurence Marks
      • [Wien] A few (more) elementary -so questions (with onsite -eece)   pieper
      • [Wien] A few (more) elementary -so questions (with onsite -eece)   Laurence Marks
      • [Wien] A few (more) elementary -so questions (with onsite -eece)   pieper
• [Wien] Need help please   sikandar azam
• [Wien] (no subject)   Elias Assmann
  • [Wien] (no subject)   sandeep
    • [Wien] (no subject)   Gavin Abo
  • [Wien] (no subject)   mir ali
• [Wien] Fraction of electron doping-Charged cells   Mohammed Abujafar
  • [Wien] Fraction of electron doping-Charged cells   Peter Blaha
• [Wien] PhD position in Vienna   Peter Blaha
• [Wien] Need your help please   Sikander Azam
  • [Wien] Need your help please   Peter Blaha
    • [Wien] Need your help please   Sikander Azam
• [Wien] a minor typos in defining nband   Peter Blaha
• [Wien] initial projections with spin-orbit coupling for wien2wannier?   Xu Wenhu
  • [Wien] initial projections with spin-orbit coupling for wien2wannier?   Elias Assmann
    • [Wien] initial projections with spin-orbit coupling for wien2wannier?   Xu Wenhu
      • [Wien] initial projections with spin-orbit coupling for wien2wannier?   Elias Assmann
• [Wien] Fwd: non-symmorphic space group and electric field with spin-orbit coupling calculations   Martin Gmitra
• [Wien] Checking the effect of pressure on the bandstructure   amit ribak
  • [Wien] Checking the effect of pressure on the bandstructure   Víctor Luaña Cabal
  • [Wien] Checking the effect of pressure on the bandstructure   Fecher, Gerhard
• [Wien] irrep and sg 204   torsten weissbach
  • [Wien] irrep and sg 204   Víctor Luaña Cabal
  • [Wien] irrep and sg 204   Peter Blaha
• [Wien] Open position for a Professor in Theoretical Chemistry at TU Wien   Peter Blaha
• [Wien] Spin-orbit coupling strength tuning   Victor Pardo
  • [Wien] Spin-orbit coupling strength tuning   Peter Blaha
• [Wien] why LAPW2 does not need case.vectorsodn file?   Martin Gmitra
  • [Wien] why LAPW2 does not need case.vectorsodn file?   Gavin Abo
    • [Wien] why LAPW2 does not need case.vectorsodn file?   Martin Gmitra
      • [Wien] why LAPW2 does not need case.vectorsodn file?   Gavin Abo
• [Wien] error in uplapw1.error file   saurabh samant
  • [Wien] error in uplapw1.error file   Gavin Abo
    • [Wien] error in uplapw1.error file   saurabh samant
• [Wien] complex   Yundi Quan
  • [Wien] complex   Gavin Abo
    • [Wien] complex   Yundi Quan
• [Wien] Supressing output of fort.12 file   Daniel Guterding
  • [Wien] Supressing output of fort.12 file   Peter Blaha
    • [Wien] Supressing output of fort.12 file   Daniel Guterding
• [Wien] Reg: Error while running band structure SP+SO case in parallel   Peram sreenivasa reddy
  • [Wien] Reg: Error while running band structure SP+SO case in parallel   Peter Blaha
• [Wien] Wien2k OPTIC crashing for XMCD calculation   Santu Baidya
  • [Wien] Wien2k OPTIC crashing for XMCD calculation   Xavier Rocquefelte
  • [Wien] Wien2k OPTIC crashing for XMCD calculation   Peter Blaha
    • [Wien] Wien2k OPTIC crashing for XMCD calculation   Santu Baidya
      • [Wien] Wien2k OPTIC crashing for XMCD calculation   Peter Blaha
      • [Wien] Wien2k OPTIC crashing for XMCD calculation   Gavin Abo
      • [Wien] Wien2k OPTIC crashing for XMCD calculation   Santu Baidya
  • [Wien] Wien2k OPTIC crashing for XMCD calculation   Peter Blaha
    • [Wien] Wien2k OPTIC crashing for XMCD calculation   Santu Baidya
      • [Wien] Wien2k OPTIC crashing for XMCD calculation   Peter Blaha
      • [Wien] Wien2k OPTIC crashing for XMCD calculation   Santu Baidya
      • [Wien] Wien2k OPTIC crashing for XMCD calculation   Gavin Abo
      • [Wien] Wien2k OPTIC crashing for XMCD calculation   Peter Blaha
• [Wien] irrep and centered lattices   torsten weissbach
• [Wien] AFM calculations for YBCO6   Madesis Ioannis(John)
  • [Wien] AFM calculations for YBCO6   pieper
    • [Wien] AFM calculations for YBCO6   delamora
      • [Wien] AFM calculations for YBCO6   delamora
  • [Wien] AFM calculations for YBCO6   Madesis Ioannis(John)
    • [Wien] AFM calculations for YBCO6   delamora
      • [Wien] AFM calculations for YBCO6   pieper
  • [Wien] AFM calculations for YBCO6   Madesis Ioannis(John)
  • [Wien] AFM calculations for YBCO6   Madesis Ioannis(John)
• [Wien] ignore irrep and centered lattices   torsten weissbach
• [Wien] Adding excitonic effects   Dileep Krishnan
  • [Wien] Adding excitonic effects   Xavier Rocquefelte
    • [Wien] Adding excitonic effects   Dileep Krishnan
      • [Wien] Adding excitonic effects   Xavier Rocquefelte
    • [Wien] Adding excitonic effects   Gavin Abo
• [Wien] Compilation error   Temuujin Bayaraa
  • [Wien] Compilation error   Gavin Abo
    • [Wien] Compilation error   Temuujin Bayaraa
      • [Wien] Compilation error   Gavin Abo
• [Wien] initso - convergence jump after reduction of symmetry   Vojtech Chlan
  • [Wien] initso - convergence jump after reduction of symmetry   Peter Blaha
    • [Wien] initso - convergence jump after reduction of symmetry   Vojtech Chlan
  • [Wien] initso - convergence jump after reduction of symmetry   novakp at fzu.cz
• [Wien] w2web optic spin polarized outputjointup / dn   Gavin Abo
• [Wien] The mail to wien2k mailing list.   muhammed thaha hashim
  • [Wien] The mail to wien2k mailing list.   Dr. K. Balamurugan
    • [Wien] The mail to wien2k mailing list.   Georg Eickerling
• [Wien] Error in lapw0   muhammed thaha hashim
  • [Wien] Error in lapw0   Gavin Abo
  • [Wien] Error in lapw0   Peter Blaha
• [Wien] The 22nd WIEN2K workshop, June 24-27, 2015, IHPC-Singapore   Ong Phuong Khuong (IHPC)
• [Wien] Help regarding magnetic moment   Rishi Singh
  • [Wien] Help regarding magnetic moment   Lyudmila Dobysheva
• [Wien] How to recognize that which peak of EELS comes from which adsobant ?   Naseem Hassan
  • [Wien] How to recognize that which peak of EELS comes from which adsobant ?   Gavin Abo
  • [Wien] How to recognize that which peak of EELS comes from which adsobant ?   Laurence Marks
    • [Wien] How to recognize that which peak of EELS comes from which adsobant ?   Naseem Hassan
      • [Wien] How to recognize that which peak of EELS comes from which adsobant ?   Gavin Abo
• [Wien] error on SCF calculation   rachida lamouri
  • [Wien] error on SCF calculation   Pavel Ondracka
    • [Wien] error on SCF calculation   rachida lamouri
      • [Wien] error on SCF calculation   pieper
      • [Wien] error on SCF calculation   rachida lamouri
      • [Wien] error on SCF calculation   Gavin Abo
      • [Wien] error on SCF calculation   rachida lamouri
      • [Wien] error on SCF calculation   Gavin Abo
      • [Wien] error on SCF calculation   rachida lamouri
• [Wien] The correct choice of mkl libraries to compile wien2k   Nilton
  • [Wien] The correct choice of mkl libraries to compile wien2k   Gavin Abo
    • [Wien] The correct choice of mkl libraries to compile wien2k   Gavin Abo
      • [Wien] The correct choice of mkl libraries to compile wien2k   Nilton
      • [Wien] The correct choice of mkl libraries to compile wien2k   Gavin Abo
      • [Wien] The correct choice of mkl libraries to compile wien2k   Nilton
      • [Wien] The correct choice of mkl libraries to compile wien2k   Gavin Abo
      • [Wien] The correct choice of mkl libraries to compile wien2k   Nilton
• [Wien] k-mesh   Yundi Quan
  • [Wien] k-mesh   Peter Blaha
• [Wien] Help for geometry optimization   B Tankhilsaihan
  • [Wien] Help for geometry optimization   Gavin Abo
    • [Wien] Help for geometry optimization   B Tankhilsaihan
      • [Wien] Help for geometry optimization   Gavin Abo
      • [Wien] Help for geometry optimization   B Tankhilsaihan
    • [Wien] Help for geometry optimization   Laurence Marks
• [Wien] Meaning of density matrices for -so -orb   Laurence Marks
  • [Wien] Meaning of density matrices for -so -orb   Peter Blaha
• [Wien] running PBEsol   Seyyed Amir Abbas Emami
  • [Wien] running PBEsol   tran at theochem.tuwien.ac.at
• [Wien] Is EMCD calculation possible using Wien2k ?   Santu Baidya
  • [Wien] Is EMCD calculation possible using Wien2k ?   Gavin Abo
    • [Wien] Is EMCD calculation possible using Wien2k ?   Santu Baidya
• [Wien] correct parameters for geometry optimization in magnetic states   Selcuk KERVAN
  • [Wien] correct parameters for geometry optimization in magnetic states   pieper
• [Wien] How to calculate U for 3d-fully filled   Tuan Vu
  • [Wien] How to calculate U for 3d-fully filled   Gavin Abo
• [Wien] ghostBand error   Marzieh Gh
  • [Wien] ghostBand error   Peter Blaha
• [Wien] Berry PI   Parker, David S.
  • [Wien] Berry PI   Oleg Rubel
• [Wien] Error for sphere overlapping   B Tankhilsaihan
  • [Wien] Error for sphere overlapping   Gavin Abo
• [Wien] steps for GGA+U method   Sayah Jamal
  • [Wien] steps for GGA+U method   Sayah Jamal
  • [Wien] steps for GGA+U method   Gavin Abo
• [Wien] How to use the ElaStic1.0 package to calculate the elastic properties   Abed Reg
  • [Wien] How to use the ElaStic1.0 package to calculate the elastic properties   Gavin Abo
  • [Wien] How to use the ElaStic1.0 package to calculate the elastic properties   Abed Reg
    • [Wien] How to use the ElaStic1.0 package to calculate the elastic properties   Víctor Luaña Cabal
    • [Wien] How to use the ElaStic1.0 package to calculate the elastic properties   Gavin Abo
  • [Wien] How to use the ElaStic1.0 package to calculate the elastic properties   Abed Reg
• [Wien] obtained minimal volume(Vo) is greater than experimental its   Marzieh Gh
  • [Wien] obtained minimal volume(Vo) is greater than experimental its   Laurence Marks

Last message date: Sun May 31 08:21:55 CEST 2015
Archived on: Sun May 31 08:22:06 CEST 2015

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