March 2007 Archives by thread

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Starting: Thu Mar 1 10:49:55 CET 2007
Ending: Sat Mar 31 14:21:02 CEST 2007
Messages: 82

• [CPMD-list] (no subject)   qfzhang
  • [CPMD-list] (no subject)   Axel Kohlmeyer
• [CPMD-list] Trying to understand screened exchange B3LYP for PBC solids   driver at mps.ohio-state.edu
  • [CPMD-list] Trying to understand screened exchange B3LYP for PBC solids   Axel Kohlmeyer
    • [CPMD-list] Trying to understand screened exchange B3LYP for PBC solids   driver at mps.ohio-state.edu
      • [CPMD-list] Trying to understand screened exchange B3LYP for PBC solids   Axel Kohlmeyer
• [CPMD-list] How to find the ground state energy of a single atom   Sirilak Sriburadej
  • [CPMD-list] How to find the ground state energy of a single atom   Axel Kohlmeyer
• [CPMD-list] using basis sets in CPMD   Nagesh Babu Idupulapati
  • [CPMD-list] using basis sets in CPMD   Axel Kohlmeyer
• [CPMD-list] Post-doctoral position at IBM Zurich Research Laboratory   Alessandro Curioni
• [CPMD-list] questions on PIMD   qfzhang
  • [CPMD-list] questions on PIMD   Serge Ivanov
    • [CPMD-list] Re: Re:questions on PIMD   qfzhang
• [CPMD-list] run in linux redhat   ÌÚÓ¢Ôª
• [CPMD-list] apply for download CPMD   ÌÚÓ¢Ôª
• [CPMD-list] linux-cpmd help   ÐÜÓñÃ÷
• [CPMD-list] compiler   ÐÜÓñÃ÷
• [CPMD-list] compiler problem   ÌÚÓ¢Ôª
• [CPMD-list] compiler problem   ÌÚÓ¢Ôª
• [CPMD-list] Thanks   ÐÜÓñÃ÷
• [CPMD-list] help from xiong   ÐÜÓñÃ÷
• [CPMD-list] compile cpmd-3.5.3   ÐÜÓñÃ÷
• No subject  
• No subject  
• No subject  
• No subject  
• [CPMD-list] How to compile CPMD with GROMOS96   Yuming Sun
  • [CPMD-list] How to compile CPMD with GROMOS96   Paul Fleurat-Lessard
• [CPMD-list] Some questions about the ANNEALING IONS keywords   =?gbk?B?zfW0ug==?=
  • [CPMD-list] Some questions about the ANNEALING IONS keywords   Axel Kohlmeyer
• [CPMD-list] Cell Size   Shashidhar G
  • [CPMD-list] Cell Size   Juerg Hutter
    • [CPMD-list] Any way to monitor the K-S energy along with MD run?   Tengfei Luo
      • [CPMD-list] Any way to monitor the K-S energy along with MD run?   Nisanth Nair
      • [CPMD-list] Any way to monitor the K-S energy along with MD run?   Tengfei Luo
      • [CPMD-list] Any way to monitor the K-S energy along with MD run?   Axel Kohlmeyer
• [CPMD-list] VDW   Philip Shemella
  • [CPMD-list] VDW   Robert Williams
• [CPMD-list] Regarding Transition state calculations with CPMD   Nagesh Babu Idupulapati
• [CPMD-list] How to get the the unoccupied orbitals in every md step?   =?gb2312?B?ycyyqA==?=
  • [CPMD-list] How to get the the unoccupied orbitals in every md step?   Axel Kohlmeyer
• [CPMD-list] regarding transition state calculations with CPMD   Nagesh Babu Idupulapati
  • [CPMD-list] regarding transition state calculations with CPMD   Axel Kohlmeyer
• [CPMD-list] Segmentation fault   A.yangthaisong
  • [CPMD-list] Segmentation fault   Axel Kohlmeyer
• [CPMD-list] Segmentation fault   A.yangthaisong
  • [CPMD-list] Segmentation fault   Axel Kohlmeyer
  • [CPMD-list] Segmentation fault   Wolfram Quester
• [CPMD-list] problem on compiling   qfzhang
  • [CPMD-list] problem on compiling   Axel Kohlmeyer
• [CPMD-list] EHAM not conserved in NVE MD   liu liuxiandong
  • [CPMD-list] EHAM not conserved in NVE MD   Axel Kohlmeyer
• [CPMD-list] About geometry optimization   naivebamboo Huang
  • [CPMD-list] About geometry optimization   Juerg Hutter
    • [CPMD-list] About geometry optimization   naivebamboo Huang
• [CPMD-list] problem of bomd!   Tengfei Luo
• [CPMD-list] question on compile   qfzhang
  • [CPMD-list] question on compile   Axel Kohlmeyer
• [CPMD-list] Tenured Staff position University of Antwerp   Lamoen Dirk
• [CPMD-list] Segmentation fault !(solved)   A.yangthaisong
  • [CPMD-list] Segmentation fault !(solved)   Axel Kohlmeyer
• [CPMD-list] segment fault   qfzhang
  • [CPMD-list] segment fault   Axel Kohlmeyer
• [CPMD-list] compiling warings but it works   liu liuxiandong
  • [CPMD-list] compiling warings but it works   Axel Kohlmeyer
• [CPMD-list] schifezza1   Philip Shemella
  • [CPMD-list] schifezza1   Axel Kohlmeyer
    • [CPMD-list] schifezza1   Philip Shemella
      • [CPMD-list] schifezza1   Axel Kohlmeyer
      • [CPMD-list] schifezza1   Philip Shemella
• [CPMD-list] lattice constant optimization for silicon   Yonghyun Kim
  • [CPMD-list] lattice constant optimization for silicon   Axel Kohlmeyer
• [CPMD-list] how to choose a different set of initial velocities?   Bin Pan
  • [CPMD-list] how to choose a different set of initial velocities?   Axel Kohlmeyer
  • [CPMD-list] how to choose a different set of initial velocities?   Ata Roudgar
• [CPMD-list] amber2gromos   Philip Shemella
  • [CPMD-list] amber2gromos   Axel Kohlmeyer
• [CPMD-list] Is the label "[GAUSS-HERMITE, KLEINMAN-BYLANDER]" necessary for MT_BLYP ?   liu liuxiandong
  • [CPMD-list] Is the label "[GAUSS-HERMITE, KLEINMAN-BYLANDER]" necessary for MT_BLYP ?   Axel Kohlmeyer
• [CPMD-list] (no subject)   davidofkozlowski
  • [CPMD-list] (no subject)   Juerg Hutter

Last message date: Sat Mar 31 14:21:02 CEST 2007
Archived on: Sat Mar 31 14:20:45 CEST 2007

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