May 2011 Archives by thread

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Starting: Mon May 2 08:35:46 CEST 2011
Ending: Tue May 31 19:01:20 CEST 2011
Messages: 214

• [Wien] plotting difficulty   Vit
• [Wien] incorrect band gap   TUX naughty
  • [Wien] incorrect band gap   Peter Blaha
  • [Wien] incorrect band gap   TUX naughty
    • [Wien] incorrect band gap   Peter Blaha
• [Wien] orbital moment   Md. Fhokrul Islam
  • [Wien] orbital moment   Peter Blaha
    • [Wien] orbital moment   Md. Fhokrul Islam
      • [Wien] orbital moment   Peter Blaha
      • [Wien] orbital moment   Md. Fhokrul Islam
• [Wien] compile wien2k_11.1 in mkl8.1, fortcom error   ZhenChen
  • [Wien] compile wien2k_11.1 in mkl8.1, fortcom error   Laurence Marks
    • [Wien] compile wien2k_11.1 in mkl8.1, fortcom error   Gerhard Fecher
• [Wien] Re Re: compile wien2k_11.1 in mkl8.1, fortcom error   ZhenChen
• [Wien] incorrect band gap   TUX naughty
• [Wien] Data Bandstruture   tarun maurya
• [Wien] symmetry reduction and density matrix inverted   王静
• [Wien] MAE   Ирина Шихман
• [Wien] x symmetry -up ERROR: negative position in rstruc   Dat Do
  • [Wien] x symmetry -up ERROR: negative position in rstruc   Peter Blaha
  • [Wien] x symmetry -up ERROR: negative position in rstruc   Dat Do
• [Wien] Problem with "Volumen Optimization "   Jose Alfredo Camargo Martinez
  • [Wien] Problem with "Volumen Optimization "   Ghosh SUDDHASATTWA
• [Wien] Fundamental Question of Spin-orbit   Chiung-Yuan Lin
• [Wien] dipole transition matrix element   Nikolay
  • [Wien] dipole transition matrix element   Robert Laskowski
    • [Wien] dipole transition matrix element   Nikolay
    • [Wien] dipole transition matrix element   Huolin Xin
      • [Wien] dipole transition matrix element   Kevin Jorissen
  • [Wien] dipole transition matrix element   Peter Blaha
    • [Wien] dipole transition matrix element   Nikolay
• [Wien] Fundamental question on constraint dft calculation of effective U by Madsen and Novak   Dat Do
  • [Wien] Fundamental question on constraint dft calculation of effective U by Madsen and Novak   Peter Blaha
• [Wien] m missing   王静
  • [Wien] m missing   Peter Blaha
• [Wien] volume optimization   Matthew Stream
  • [Wien] volume optimization   tran at theochem.tuwien.ac.at
    • [Wien] volume optimization   Matthew Stream
      • [Wien] volume optimization   tran at theochem.tuwien.ac.at
      • [Wien] volume optimization   Matthew Stream
• [Wien] modified Becke-Johnson potential   kimia abedi
  • [Wien] modified Becke-Johnson potential   tran at theochem.tuwien.ac.at
  • [Wien] modified Becke-Johnson potential   Peter Blaha
• [Wien] compile wien2k_11.1 in mkl8.1, fortcom error   ZhenChen
• [Wien] format 699 in lapw0.F   Gilles Hug
  • [Wien] format 699 in lapw0.F   Peter Blaha
• [Wien] lapw1 problem with PbTiO3   vielmaj at onid.orst.edu
  • [Wien] lapw1 problem with PbTiO3   Peter Blaha
    • [Wien] lapw1 problem with PbTiO3   vielmaj at onid.orst.edu
      • [Wien] lapw1 problem with PbTiO3   Peter Blaha
      • [Wien] lapw1 problem with PbTiO3   vielmaj at onid.orst.edu
      • [Wien] lapw1 problem with PbTiO3   vielmaj at onid.orst.edu
• [Wien] I need your help   水牧 仁一朗
  • [Wien] I need your help   Peter Blaha
    • [Wien] PassWord   水牧 仁一朗
      • [Wien] PassWord   Rocquefelte
      • [Wien] PassWord   水牧 仁一朗
• [Wien] compilation   Saad Omran
  • [Wien] compilation   Kulpreet Virdi
    • [Wien] compilation   フォンス ポール
      • [Wien] compilation   Saad Omran
      • [Wien] compilation   Ramkumar Thapa
      • [Wien] compilation   Saad Omran
• [Wien] R0 for atom -3 Z= 33.00 too big   Jakob Kanter
  • [Wien] R0 for atom -3 Z= 33.00 too big   Peter Blaha
• [Wien] an error in wien2k   leila moazzami
  • [Wien] Fwd: an error in wien2k   majid moazamiii
• [Wien] for the second time problem with w2web"Error - Failed to open file"   sufyan
  • [Wien] for the second time problem with w2web"Error - Failed to open file"   Peter Blaha
• [Wien] MSR1a   Laurence Marks
• [Wien] SP and without SP   ali ghafari
  • [Wien] SP and without SP   tran at theochem.tuwien.ac.at
• [Wien] why don't answer my question after three times sending it :(   majid moazamiii
  • [Wien] why don't answer my question after three times sending it :(   Rocquefelte
  • [Wien] why don't answer my question after three times sending it :(   Peter Blaha
• [Wien] crystal indices and bandstructure route of NiO   bruce.tian
  • [Wien] crystal indices and bandstructure route of NiO   Peter Blaha
• [Wien] Enthalpy of formation of chlorides   Ghosh SUDDHASATTWA
  • [Wien] Enthalpy of formation of chlorides   Gerhard Fecher
    • [Wien] Enthalpy of formation of chlorides   Ghosh SUDDHASATTWA
• [Wien] Error in Parallel LAPW1 with Fe2O3   Xiao Ting
  • [Wien] Error in Parallel LAPW1 with Fe2O3   Ghosh SUDDHASATTWA
    • [Wien] Error in Parallel LAPW1 with Fe2O3   Laurence Marks
• [Wien] BoltzTrap   Mojtaba Zareii
  • [Wien] BoltzTrap   Ramkumar Thapa
    • [Wien] BoltzTrap   Gerhard Fecher
      • [Wien] BoltzTrap   Peter Blaha
      • [Wien] BoltzTrap   Gerhard Fecher
      • [Wien] BoltzTrap   Ramkumar Thapa
      • [Wien] BoltzTrap   Gerhard Fecher
  • [Wien] BoltzTrap   Peter Blaha
• [Wien] charge density of a single atom   Dr. Sharat Chandra
• [Wien] A question on spin-orbit calculations   Jyoti
  • [Wien] A question on spin-orbit calculations   Peter Blaha
• [Wien] charge density of a single atom   Dr. Sharat Chandra
  • [Wien] charge density of a single atom   Peter Blaha
• [Wien] Wien2k workshop at PennState   Peter Blaha
• [Wien] problem in lapw1   Pooja Rana
• [Wien] exchange coupling constants calculations   Linux PC
  • [Wien] exchange coupling constants calculations   Xavier.Rocquefelte at cnrs-imn.fr
    • [Wien] exchange coupling constants calculations   Linux PC
      • [Wien] exchange coupling constants calculations   Rocquefelte
      • [Wien] exchange coupling constants calculations   Linux PC
  • [Wien] exchange coupling constants calculations   Guillaume Radtke
• [Wien] Volume Optimization under Constant External Pressure (3 GPa to 30 GPa)   Ghosh SUDDHASATTWA
  • [Wien] Volume Optimization under Constant External Pressure (3 GPa to 30 GPa)   Gerhard Fecher
• [Wien] Total Energy Calculations involving Chlorides   Ghosh SUDDHASATTWA
• [Wien] elastic constants of tetragonal structure   shiyaojun
• [Wien] error In source file qmix7.F   mouhamed mahdi
  • [Wien] error In source file qmix7.F   Peter Blaha
• [Wien] No rule to make target `complex   sufyan
  • [Wien] No rule to make target `complex   Stefaan Cottenier
• [Wien] Limit in bandsup/dn.agr   Kamil Klier
  • [Wien] Limit in bandsup/dn.agr   Peter Blaha
• [Wien] mixer error   水牧 仁一朗
  • [Wien] mixer error   Peter Blaha
    • [Wien] mixer error   水牧 仁一朗
      • [Wien] mixer error   Laurence Marks
• [Wien] AFM initialization   Ghosh SUDDHASATTWA
  • [Wien] AFM initialization   Stefaan Cottenier
• [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Rostam Golesorkhtabar
  • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Ghosh SUDDHASATTWA
    • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Rostam Golesorkhtabar
  • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Peter Blaha
    • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Rostam Golesorkhtabar
      • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Peter Blaha
      • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Rostam Golesorkhtabar
      • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Peter Blaha
      • [Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX   Peter Blaha
      • [Wien] w2web cpu use   César de la Fuente
      • [Wien] w2web cpu use   Gerhard Fecher
      • [Wien] w2web cpu use   César de la Fuente
• [Wien] problems in wien2k 10 run   saed alazar
  • [Wien] problems in wien2k 10 run   Laurence Marks
    • [Wien] problems in wien2k 10 run   Laurence Marks
• [Wien] SuperCell Configuration_RHFS Error during lstart   Ghosh SUDDHASATTWA
• [Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )   Ghosh SUDDHASATTWA
  • [Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )   Stefaan Cottenier
    • [Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )   Ghosh SUDDHASATTWA
• [Wien] e-mails   Renata Wentzcovitch
  • [Wien] e-mails   Peter Blaha
• [Wien] problem with lapw1 during supercell calculations   Pooja Rana
  • [Wien] problem with lapw1 during supercell calculations   Peter Blaha
• [Wien] analysing the convergence with the command "grep"   mouhamed mahdi
• [Wien] isomer shift   vandao at urisan.tche.br
  • [Wien] isomer shift   Stefaan Cottenier
  • [Wien] isomer shift   Ricardo Faccio
    • [Wien] isomer shift   vandao at urisan.tche.br
      • [Wien] isomer shift   Stefaan Cottenier
      • [Wien] isomer shift   vandao at urisan.tche.br
      • [Wien] isomer shift   Ricardo Faccio
      • [Wien] isomer shift   Stefaan Cottenier
• [Wien] Warning during init_lapw run   santu baidya
• [Wien] supercell calculations   Pooja Rana
• [Wien] wrong MMT with LSDA ??   Karen tim
  • [Wien] wrong MMT with LSDA ??   Gerhard Fecher
• [Wien] question about contribution of the orbital moment with spin-orbit coupling   Aboudi Hamouda
  • [Wien] question about contribution of the orbital moment with spin-orbit coupling   Stefaan Cottenier
• [Wien] About the warning: R0 for atom 1 Z= 28.00 too big   Tetyana Zayar
• [Wien] runsp_lapw -ec 0.0001 -cc 0.0001 -NI   sufyan
• [Wien] Installation Doubt...   M. Mahendran (Assoc Prof)
  • [Wien] Installation Doubt...   Ramkumar Thapa
  • [Wien] Installation Doubt...   Ramkumar Thapa
• [Wien] Data meaning in WIEN2K   Karen tim
  • [Wien] Data meaning in WIEN2K   Stefaan Cottenier
• [Wien] Data meaning in WIEN2K   Karen tim
• [Wien] errors WIEN2K   Karen tim
• [Wien] errors WIEN2K   Tetyana Zayar
  • [Wien] errors WIEN2K   Peter Blaha
• [Wien] Post-doctoral position - Bordeaux France   Carlier Dany
• [Wien] Optimization of volumen + TB-MBJ potential.   Jose Alfredo Camargo Martinez
  • [Wien] Optimization of volumen + TB-MBJ potential.   tran at theochem.tuwien.ac.at
• [Wien] spin-orbit coupling and magnetic anisotropy   pieper
  • [Wien] spin-orbit coupling and magnetic anisotropy   Pavel Novak
• [Wien] negative value of force FGL   Karen tim
  • [Wien] negative value of force FGL   Stefaan Cottenier
• [Wien] negative value of force FGL   Karen tim
  • [Wien] negative value of force FGL   Laurence Marks
• [Wien] negative value of force FGL   Karen tim
• [Wien] EFG   vandao at urisan.tche.br
  • [Wien] EFG   Rocquefelte
  • [Wien] EFG   Stefaan Cottenier
• [Wien] electron density plot   shameem banu
• [Wien] argv1: subscript out of range   shamik chakrabarti
  • [Wien] argv1: subscript out of range   yasir saeed
  • [Wien] argv1: subscript out of range   Ramkumar Thapa
• [Wien] Problem installing MPICH2   Jose Alfredo Camargo Martinez
  • [Wien] Problem installing MPICH2   Robert Laskowski
    • [Wien] Problem installing MPICH2   Jose Alfredo Camargo Martinez
      • [Wien] Problem installing MPICH2   Laurence Marks
      • [Wien] Problem installing MPICH2   Jose Alfredo Camargo Martinez
      • [Wien] Problem installing MPICH2   Laurence Marks
      • [Wien] Problem installing MPICH2   Laurence Marks
• [Wien] error In source file qmix7.F   mouhamed mahdi
  • [Wien] error In source file qmix7.F   Laurence Marks
  • [Wien] error In source file qmix7.F   Peter Blaha
• [Wien] error In source file qmix7.F   mouhamed mahdi
  • [Wien] error In source file qmix7.F   Peter Blaha
    • [Wien] error In source file qmix7.F   Laurence Marks
• [Wien] error In source file qmix7.F   mouhamed mahdi
• [Wien] error during DOS calculation   shamik chakrabarti
  • [Wien] Fwd: error during DOS calculation   shamik chakrabarti
    • [Wien] Fwd: error during DOS calculation   Ramkumar Thapa
• [Wien] total DOS at the interface   Karen tim
• [Wien] error during compilation (siteconfig_lapw)   shamik chakrabarti
  • [Wien] error during compilation (siteconfig_lapw)   Ramkumar Thapa
    • [Wien] error during compilation (siteconfig_lapw)   Gerhard Fecher
      • [Wien] error during compilation (siteconfig_lapw)   Ramkumar Thapa
      • [Wien] error during compilation (siteconfig_lapw)   shamik chakrabarti
  • [Wien] error during compilation (siteconfig_lapw)   Gerhard Fecher
• [Wien] w2web files   David Tompsett
  • [Wien] w2web files   Peter Blaha
• [Wien] DSTART   vandao at urisan.tche.br
  • [Wien] DSTART   Lyudmila V. Dobysheva

Last message date: Tue May 31 19:01:20 CEST 2011
Archived on: Tue May 31 19:01:41 CEST 2011

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