February 2016 Archives by thread

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Starting: Mon Feb 1 04:43:10 UTC 2016
Ending: Mon Feb 29 17:50:34 UTC 2016
Messages: 78

• please help me   smzhe... at imr.ac.cn
• atomes go far away from box in NVT simulation   tao liu
  • atomes go far away from box in NVT simulation   tao liu
    • atomes go far away from box in NVT simulation   Samuel Andermatt
  • atomes go far away from box in NVT simulation   tao liu
  • atomes go far away from box in NVT simulation   tao liu
  • atomes go far away from box in NVT simulation   tao liu
    • atomes go far away from box in NVT simulation   Samuel Andermatt
    • atomes go far away from box in NVT simulation   Matt W
• [CP2K:7353] libint cp2k flag inconsistencies   Johannes Wagner
• OR eigensolver+BFGS geo_optimizer error   eft rsd
  • [CP2K:7393] OR eigensolver+BFGS geo_optimizer error   Iain Bethune
    • [CP2K:7393] OR eigensolver+BFGS geo_optimizer error   eft rsd
• Optimisation of solid state compound   mj.be... at hotmail.co.uk
  • [CP2K:7394] Optimisation of solid state compound   Ari Paavo Seitsonen
  • Optimisation of solid state compound   Sergey Chulkov
• positron densities   Asier Zubiaga
  • [CP2K:7400] positron densities   Michael Banck
• Some questions regarding BSSE correction in CP2k   Bharat Medasani
  • [CP2K:7402] Some questions regarding BSSE correction in CP2k   hut... at chem.uzh.ch
    • [CP2K:7402] Some questions regarding BSSE correction in CP2k   Bharat Medasani
• Load balancing for H2O-inputs   Martin Küttler
  • [CP2K:7406] Load balancing for H2O-inputs   Iain Bethune
    • [CP2K:7406] Load balancing for H2O-inputs   Martin Küttler
      • [CP2K:7408] Load balancing for H2O-inputs   Iain Bethune
• Information about vdw in MM   mark
• Hessian output   katarína stančiaková
• 2nd Paris International School on Advanced Computational Materials Science (PISACMS)   Fabio Pietrucci
• Initial guess of the density matrix   tao liu
  • [CP2K:7414] Re: Initial guess of the density matrix   S Ling
• MOLOPT-SR-GTH Training Molecules   Conrad
  • [CP2K:7418] MOLOPT-SR-GTH Training Molecules   S Ling
    • [CP2K:7418] MOLOPT-SR-GTH Training Molecules   Conrad
• charge restrained MD   vincenzo verdolino
• Difficulty diisplaying CO2 density of states   Natalie Austin
• WARNING in HSE06 functional calculation   chris7
• I need help for HSE-functional calculation   Apostolidou Christina
  • [CP2K:7424] I need help for HSE-functional calculation   hut... at chem.uzh.ch
    • [CP2K:7426] I need help for HSE-functional calculation   Zhendong Guo
      • [CP2K:7426] I need help for HSE-functional calculation   chris7
• Wannier spread functionals in CP2K   Pouya Partovi
• Broken Symmetry   Rizwan Nabi
• [CP2K:7431] Nonsense VELOCITY DCD files with the default unit bohr/au_time   Krack Matthias (PSI)
• Error compiling CP2K 2.6 with GFortran 4.8.4   DEC014
  • Error compiling CP2K 2.6 with GFortran 4.8.4   Ole Schütt
• [CfP] 5th IEEE Track on Collaborative Modeling and Simulation (Comets 2016) **** Submission Deadline Extended ****   daniele
• Input file causes core dump   rma... at mun.ca
  • Input file causes core dump   Samuel Andermatt
    • Input file causes core dump   rma... at mun.ca
• Calculating forces in reftraj runs   Ondrej Marsalek
• LIBXSMM 1.2 released   Hans Pabst
• Multiplicity usage   ashish dabral
• How to get pseudo potential for pseudo hydrogen in cp2k   Kalpna Jain
  • How to get pseudo potential for pseudo hydrogen in cp2k   Rizwan Nabi
  • How to get pseudo potential for pseudo hydrogen in cp2k   Matt W
• DFT-D2 parameters for tungsten   ashish dabral
  • DFT-D2 parameters for tungsten   Andreas Funk
    • DFT-D2 parameters for tungsten   ashish dabral
      • DFT-D2 parameters for tungsten   Andreas Funk
      • DFT-D2 parameters for tungsten   ashish dabral
• libxc versions 2.2.2 and above   SaeeD PourasaD
  • [CP2K:7448] libxc versions 2.2.2 and above   Iain Bethune
    • [CP2K:7448] libxc versions 2.2.2 and above   SaeeD PourasaD
      • [CP2K:7452] libxc versions 2.2.2 and above   Iain Bethune
• DFTB SKF format in CP2K   Maicon Lourenco
  • [CP2K:7451] DFTB SKF format in CP2K   hut... at chem.uzh.ch
    • [CP2K:7453] DFTB SKF format in CP2K   Maicon Lourenco
• ERRORL3 in thermostat_utils   Guanna Li
  • ERRORL3 in thermostat_utils   Guanna Li
    • ERRORL3 in thermostat_utils   Guanna Li
• Error when selecting FFTW_PLAN_TYPE options   Guilherme da Silva
  • Error when selecting FFTW_PLAN_TYPE options   Guilherme da Silva
• Paris International School on Advanced Computational Materials Science (PISACMS) 2016 - 2nd announcement   Ari Paavo Seitsonen
• parallel cp2k under Windows   po... at univ.rzeszow.pl
  • [CP2K:7462] parallel cp2k under Windows   Iain Bethune
    • [CP2K:7463] parallel cp2k under Windows   Dariusz Pogocki
• installation errors   SaeeD PourasaD
  • [CP2K:7463] installation errors   Iain Bethune

Last message date: Mon Feb 29 17:50:34 UTC 2016
Archived on: Thu Mar 3 11:47:37 UTC 2022

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