October 2013 Archives by thread

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Starting: Tue Oct 1 09:14:56 UTC 2013
Ending: Wed Oct 30 18:36:51 UTC 2013
Messages: 116

• [CP2K:4636] Tran Blaha 09   hut... at pci.uzh.ch
• [CP2K:4652] The correction of the mean force to calculation of free energy in CP2K   hut... at pci.uzh.ch
• Choosing parameters in CP2K   huan... at mail.huji.ac.il
  • Choosing parameters in CP2K   Andreas Funk
    • Choosing parameters in CP2K   huan... at mail.huji.ac.il
• [CP2K:4646] Cp2k compiled but some test files fail   Samuel Lamphier
  • [CP2K:4658] Cp2k compiled but some test files fail   Iain Bethune
  • [CP2K:4646] Cp2k compiled but some test files fail   Hongqian Sang
    • [CP2K:4730] Cp2k compiled but some test files fail   Iain Bethune
      • [CP2K:4730] Cp2k compiled but some test files fail   Alin Marin Elena
      • [CP2K:4730] Cp2k compiled but some test files fail   Hongqian Sang
• The correction of the mean force to calculation of free energy in CP2K   YE-FEI LI
• nuclear-nuclear repulsion energy   Hanning Chen
  • [CP2K:4660] nuclear-nuclear repulsion energy   hut... at pci.uzh.ch
• [CP2K:4634] restarting NEB calculations.   Jörg Saßmannshausen
  • [CP2K:4661] restarting NEB calculations.   Teodoro Laino
    • [CP2K:4662] restarting NEB calculations.   Jörg Saßmannshausen
• How many cores can CP2K utilize in parallel computing.   huan... at mail.huji.ac.il
  • [CP2K:4664] How many cores can CP2K utilize in parallel computing.   Iain Bethune
    • [CP2K:4664] How many cores can CP2K utilize in parallel computing.   huan... at mail.huji.ac.il
    • [CP2K:4691] How many cores can CP2K utilize in parallel computing.   Huan Wang
      • [CP2K:4669] How many cores can CP2K utilize in parallel computing.   Iain Bethune
      • [CP2K:4701] How many cores can CP2K utilize in parallel computing.   Huan Wang
      • [CP2K:4675] How many cores can CP2K utilize in parallel computing.   Iain Bethune
      • [CP2K:4703] How many cores can CP2K utilize in parallel computing.   Huan Wang
  • [CP2K:4664] How many cores can CP2K utilize in parallel computing.   Jörg Saßmannshausen
    • [CP2K:4664] How many cores can CP2K utilize in parallel computing.   huan... at mail.huji.ac.il
• help me to calculate the band structure of the gamma point   mohamed khuili
  • [CP2K:4669] help me to calculate the band structure of the gamma point   Ari Paavo Seitsonen
    • [CP2K:4670] help me to calculate the band structure of the gamma point   mohamed khuili
      • [CP2K:4671] help me to calculate the band structure of the gamma point   Ari Paavo Seitsonen
      • [CP2K:4672] help me to calculate the band structure of the gamma point   mohamed khuili
• Why simulation with PBE functional is too slow?   huan... at mail.huji.ac.il
  • Why simulation with PBE functional is too slow?   Matt W
    • [CP2K:4706] Re: Why simulation with PBE functional is too slow?   Huan Wang
  • Why simulation with PBE functional is too slow?   Matt W
    • [CP2K:4708] Re: Why simulation with PBE functional is too slow?   Huan Wang
• speed slow down on running CP2K   huan... at mail.huji.ac.il
  • [CP2K:4683] speed slow down on running CP2K   Sandeep Kumar Reddy
    • [CP2K:4712] speed slow down on running CP2K   Huan Wang
      • [CP2K:4684] speed slow down on running CP2K   Sandeep Kumar Reddy
      • [CP2K:4714] speed slow down on running CP2K   Huan Wang
• ld: cannot find -lsmm_dnn   Calvin47
  • [CP2K:4688] ld: cannot find -lsmm_dnn   Iain Bethune
• Periodic XY   Andrei Buin
• rattle and shake for organometallic compound?   Jörg Saßmannshausen
• CP2K with Latest LIBXC   Ananya Mondal
  • [CP2K:4691] CP2K with Latest LIBXC   Jörg Saßmannshausen
    • [CP2K:4692] CP2K with Latest LIBXC   Ananya Mondal
      • [CP2K:4693] CP2K with Latest LIBXC   Alin Marin Elena
      • [CP2K:4694] CP2K with Latest LIBXC   Ananya Mondal
• Force on Nuclei   Pankaj Mishra
  • Force on Nuclei   Matt W
• Compiling cp2k on intel ifort 13.1.3 icc 13.0.0   Samuel Lamphier
  • [CP2K:4698] Compiling cp2k on intel ifort 13.1.3 icc 13.0.0   Ole Schütt
    • [CP2K:4698] Compiling cp2k on intel ifort 13.1.3 icc 13.0.0   Fiona Reid
• Significance of Z(eff) in MODULE QUICKSTEP:   Pankaj Mishra
• CP2K Regtesting on Intel Compiler   Rafael Soler-Crespo
  • CP2K Regtesting on Intel Compiler   Matthias Krack
    • CP2K Regtesting on Intel Compiler   Rafael Soler-Crespo
      • CP2K Regtesting on Intel Compiler   Matthias Krack
      • CP2K Regtesting on Intel Compiler   Rafael Soler-Crespo
• [CP2K:4613] ALMO   Joe Greenstone
  • [CP2K:4613] ALMO   Rustam
    • [CP2K:4613] ALMO   Joe Greenstone
      • [CP2K:4613] ALMO   Rustam
      • [CP2K:4613] ALMO   Marko Melander
      • [CP2K:4613] ALMO   Rustam
      • [CP2K:4613] ALMO   Joe Greenstone
      • [CP2K:4613] ALMO   Rustam
      • [CP2K:4613] ALMO   Rustam
      • [CP2K:4613] ALMO   Joe Greenstone
      • [CP2K:4613] ALMO   Joe Greenstone
      • [CP2K:4613] ALMO   Rustam
• Non-equidistant images in NEB   Łukasz Walewski
  • [CP2K:4704] Non-equidistant images in NEB   Teodoro Laino
• Problem on FERMI (BlueGeneQ)   jacopos
  • [CP2K:4706] Problem on FERMI (BlueGeneQ)   Teodoro Laino
    • [CP2K:4707] Problem on FERMI (BlueGeneQ)   Jacopo Sgrignani
      • [CP2K:4711] Problem on FERMI (BlueGeneQ)   Teodoro Laino
      • [CP2K:4712] Problem on FERMI (BlueGeneQ)   Jacopo Sgrignani
      • [CP2K:4714] Problem on FERMI (BlueGeneQ)   Teodoro Laino
• dbcsr error when applying periodic efield   David Stelter
  • dbcsr error when applying periodic efield   David Stelter
• [CP2K:4719] dbcsr error when applying periodic efield   Teodoro Laino
  • [CP2K:4719] dbcsr error when applying periodic efield   Ole Schütt
  • [CP2K:4719] dbcsr error when applying periodic efield   David Stelter
    • [CP2K:4719] dbcsr error when applying periodic efield   Florian Schiffmann
      • [CP2K:4719] dbcsr error when applying periodic efield   David Stelter
      • [CP2K:4719] dbcsr error when applying periodic efield   Matt W
      • [CP2K:4719] dbcsr error when applying periodic efield   David Stelter
      • [CP2K:4719] dbcsr error when applying periodic efield   Florian Schiffmann
      • [CP2K:4719] dbcsr error when applying periodic efield   Matt W
      • [CP2K:4719] dbcsr error when applying periodic efield   David Stelter
      • [CP2K:4719] dbcsr error when applying periodic efield   Matt W
      • [CP2K:4719] dbcsr error when applying periodic efield   David Stelter
• difference between wannier total dipole and berry total dipole   labicia
  • [CP2K:4726] difference between wannier total dipole and berry total dipole   hut... at pci.uzh.ch
    • [CP2K:4735] difference between wannier total dipole and berry total dipole   Wagner Homsi Brandeburgo
      • [CP2K:4736] difference between wannier total dipole and berry total dipole   hut... at pci.uzh.ch
      • [CP2K:4737] difference between wannier total dipole and berry total dipole   Wagner Homsi Brandeburgo
• compiling cp2k with ifort 14&friends   Alin Marin Elena
  • [CP2K:4726] compiling cp2k with ifort 14&friends   Iain Bethune
• [CP2K:4648] any known issues for cp2k/2.4 with Openmpi 1.6.5?   cristia... at gmail.com
• help to plot density of states   mohamed khuili
  • help to plot density of states   mohamed khuili
    • help to plot density of states   Matt W
      • help to plot density of states   mohamed khuili
  • help to plot density of states   mohamed khuili
• some strange phenomena on running CP2K with PBE functional   huan... at mail.huji.ac.il
  • [CP2K:4750] some strange phenomena on running CP2K with PBE functional   Marcella Iannuzzi
    • [CP2K:4782] some strange phenomena on running CP2K with PBE functional   Huan Wang
• *** Extended deadline *** CfP: 4th International Workshop on Model-driven Approaches for Simulation Engineering part of the Symposium on Theory of Modeling and Simulation (SCS SpringSim 2014)     daniele
• testing on simulation cell   huan... at mail.huji.ac.il
  • [CP2K:4755] testing on simulation cell   Marcella Iannuzzi
    • [CP2K:4792] testing on simulation cell   Huan Wang

Last message date: Wed Oct 30 18:36:51 UTC 2013
Archived on: Thu Mar 3 11:47:31 UTC 2022

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