January 2014 Archives by thread

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Starting: Wed Jan 1 13:54:39 UTC 2014
Ending: Fri Jan 31 15:34:37 UTC 2014
Messages: 61

• problem in compile cp2k 2.4 for parallel code   jian... at gmail.com
  • [CP2K:4871] Re: problem in compile cp2k 2.4 for parallel code   Jörg Saßmannshausen
• MD Annealing   bolon... at gmail.com
• How to install CP2k in UBUNTU 12.04 LTS   Irtaza Hassan
  • [CP2K:4873] How to install CP2k in UBUNTU 12.04 LTS   Dominik 'Rathann' Mierzejewski
    • [CP2K:4873] How to install CP2k in UBUNTU 12.04 LTS   Michael Banck
      • [CP2K:4874] How to install CP2k in UBUNTU 12.04 LTS   Jörg Saßmannshausen
• [CP2K:4868] Re: optimization problem of a supercell   Florian Schiffmann
• The order of Wannier orbital indices in the output files.   JQ
• [CP2K:4854] The order of Wannier orbital indices in the output files.   hut... at chem.uzh.ch
  • [CP2K:4854] The order of Wannier orbital indices in the output files.   JQ
• [CP2K:4842] Specifying the "steepness" parameters in DFT-D3 damping function   hut... at chem.uzh.ch
• [CP2K:4859] Re: Vibrational Analysis   hut... at chem.uzh.ch
  • [CP2K:4859] Re: Vibrational Analysis   Pankaj Mishra
• Non-variational SCF energies   Chris E
  • Non-variational SCF energies   marci
  • [CP2K:4884] Non-variational SCF energies   Ari Paavo Seitsonen
  • Non-variational SCF energies   Chris E
    • [CP2K:4894] Re: Non-variational SCF energies   hut... at chem.uzh.ch
      • [CP2K:4894] Re: Non-variational SCF energies   Chris E
      • [CP2K:4894] Re: Non-variational SCF energies   Chris E
    • [CP2K:4894] Re: Non-variational SCF energies   Ari Paavo Seitsonen
• some errors when run cp2k for a quickstep   jian... at gmail.com
• Dipole intensities   ileo
  • Dipole intensities   Florian Schiffmann
• [CP2K:4885] some errors when run cp2k for a quickstep   Dominik 'Rathann' Mierzejewski
• PBE0 MULTIPLICITY 1 calculation   carlo antonio pignedoli
  • PBE0 MULTIPLICITY 1 calculation   marci
    • [CP2K:4890] Re: PBE0 MULTIPLICITY 1 calculation   carlo antonio pignedoli
• about Max_force convergence , help me.   Jj Ll
  • about Max_force convergence , help me.   Samuel Andermatt
• qs_dftb_parameters.F error . a bug?   Jj Ll
• Starting a CP2K calculation from a user supplied charge density file?   Lianheng Tong
  • [CP2K:4905] Starting a CP2K calculation from a user supplied charge density file?   hut... at chem.uzh.ch
    • [CP2K:4905] Starting a CP2K calculation from a user supplied charge density file?   Lianheng Tong
• Charge calculation -- Charged system   Sandeep Kumar Reddy
  • [CP2K:4905] Charge calculation -- Charged system   Ari Paavo Seitsonen
  • [CP2K:4905] Charge calculation -- Charged system   hut... at chem.uzh.ch
    • [CP2K:4907] Charge calculation -- Charged system   Sandeep Kumar Reddy
      • [CP2K:4909] Charge calculation -- Charged system   hut... at chem.uzh.ch
• [CP2K:4904] qs_dftb_parameters.F error . a bug?   hut... at chem.uzh.ch
  • [CP2K:4944] qs_dftb_parameters.F error . a bug?   牛牛
    • [CP2K:4912] qs_dftb_parameters.F error . a bug?   Ralph Koitz
• NPT_F with surfaces   Massimo Delle Piane
  • [CP2K:4915] NPT_F with surfaces   hut... at chem.uzh.ch
  • NPT_F with surfaces   marci
    • NPT_F with surfaces   Florian Schiffmann
• Constrain bonds in FIST simulation   leila
  • [CP2K:4916] Constrain bonds in FIST simulation   hut... at chem.uzh.ch
• [CP2K:4471] CP2K - new version release - 2.4   stephen.s... at googlemail.com
  • [CP2K:4919] CP2K - new version release - 2.4   Teodoro Laino
• GNU EMACS major mode for editing CP2K input   Lianheng Tong
• [CP2K:1090] Calculations on non-orthorhombic cells   Emile Maras
  • [CP2K:4925] Calculations on non-orthorhombic cells   hut... at chem.uzh.ch
• PIMD and metadynamics   Chaim Dryzun
• zero step size in cell optimisation   isaac sugden
• Outputting cell information and fractional coordinates   fxco... at gmail.com
  • Outputting cell information and fractional coordinates   Matthias Krack
    • [CP2K:4962] Outputting cell information and fractional coordinates   FX
      • [CP2K:4962] Outputting cell information and fractional coordinates   Matthias Krack
      • [CP2K:4964] Outputting cell information and fractional coordinates   FX

Last message date: Fri Jan 31 15:34:37 UTC 2014
Archived on: Thu Mar 3 11:47:32 UTC 2022

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