October 2006 Archives by thread

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Starting: Mon Oct 2 09:03:46 CEST 2006
Ending: Tue Oct 31 21:51:57 CET 2006
Messages: 63

• [CPMD-list] Post-Doctoral Position   Marie-Pierre GAIGEOT
• [CPMD-list] Help with molecular crystals -- atoms are too close   okan.esenturk at nist.gov
  • [CPMD-list] Help with molecular crystals -- atoms are too close   Ewald Pauwels
• [CPMD-list] EKINEC=0 and unreasonable TEMPP: error while using Nose-Hoover chain thermostat after quenching   huawj
• [CPMD-list] question on the QUENCH[IONS,ELECTRONS,CELL,BO] keyword   huawj
  • [CPMD-list] question on the QUENCH[IONS, ELECTRONS, CELL, BO] keyword   Axel Kohlmeyer
  • [CPMD-list] question on the QUENCH[IONS, ELECTRONS, CELL, BO] keyword   Eduard Schreiner
• [CPMD-list] PDB for ethylenediamine + Methyl group?   Sylvie Aubry
  • [CPMD-list] PDB for ethylenediamine + Methyl group?   Axel Kohlmeyer
• [CPMD-list] question on the QUENCH[IONS, ELECTRONS, CELL, BO] keyword   huawj
• [CPMD-list] Tunneling effect   Younes Ansari
  • [CPMD-list] Tunneling effect   Axel Kohlmeyer
• [CPMD-list] Help for restricted-open shell Kohn Sham method   Gana Natarajan
• [CPMD-list] Bug in center of mass velocity calculation with fixed atoms   Ata Roudgar
• [CPMD-list] error in MD calculations using Monkhorst Pack K-points   fafa chiker
  • [CPMD-list] error in MD calculations using Monkhorst Pack K-points   Ari P Seitsonen
    • [CPMD-list] error in MD calculations using Monkhorst Pack K-points   Axel Kohlmeyer
• [CPMD-list] visualization of vibrational modes   Yiming Zhang
  • [CPMD-list] visualization of vibrational modes   Axel Kohlmeyer
    • [CPMD-list] visualization of vibrational modes   Yong Zhang
• [CPMD-list] Re: visualization of vibrational modes (Yiming Zhang)   enrico.tapavicza at epfl.ch
• [CPMD-list] visualization of vibrational modes   Alexander Isaev
• [CPMD-list] Seeking bay area Graduate Student with CPMD experience   Yaser Rehem
• [CPMD-list] Installing CPMD on the MAC-Intel platform   Yaser Rehem
  • [CPMD-list] Installing CPMD on the MAC-Intel platform   Axel Kohlmeyer
    • [CPMD-list] Installing CPMD on the MAC-Intel platform   Yaser Rehem
      • [CPMD-list] Installing CPMD on the MAC-Intel platform   François-Xavier Coudert
      • [CPMD-list] Installing CPMD on the MAC-Intel platform   Axel Kohlmeyer
      • [CPMD-list] Installing CPMD on the MAC-Intel platform   François-Xavier Coudert
      • [CPMD-list] Installing CPMD on the MAC-Intel platform   Axel Kohlmeyer
      • [CPMD-list] Installing CPMD on the MAC-Intel platform   Yaser Rehem
  • [CPMD-list] Installing CPMD on the MAC-Intel platform   Christian Simon
    • [CPMD-list] Installing CPMD on the MAC-Intel platform   Axel Kohlmeyer
• [CPMD-list] cpmd 3.11. license   walter Langel
  • [CPMD-list] cpmd 3.11. license   Alessandro Curioni
• [CPMD-list] Janak's theorem - under periodic boundary conditions   Audrius Alkauskas
• [CPMD-list] error while calculating the dipole moment   huawj
  • [CPMD-list] error while calculating the dipole moment   Alexandr Isayev
    • [CPMD-list] error while calculating the dipole moment   Axel Kohlmeyer
• [CPMD-list] error while calculating the dipole moment   huawj
• [CPMD-list] error while calculating the dipole moment   huawj
  • [CPMD-list] error while calculating the dipole moment   Axel Kohlmeyer
• [CPMD-list] nonadiabaticity with staging mode path integral   Lan-Feng Yuan
• [CPMD-list] Dual dual-core opteron - MPI and Ifort effort   Matus Dubecky
  • [CPMD-list] Dual dual-core opteron - MPI and Ifort effort   Axel Kohlmeyer
• [CPMD-list] external potential on amd64   Philip Shemella
  • [CPMD-list] external potential on amd64   Axel Kohlmeyer
    • [CPMD-list] external potential on amd64   Philip Shemella
      • [CPMD-list] external potential on amd64   Axel Kohlmeyer
      • [CPMD-list] external potential on amd64   Philip Shemella
• [CPMD-list] CPMD problem   kkarthur
  • [CPMD-list] CPMD problem   Ari P Seitsonen
    • [CPMD-list] CPMD problem   Axel Kohlmeyer
  • [CPMD-list] CPMD problem   Axel Kohlmeyer
• [CPMD-list] compiling error on an IBM Blade PPC970 AIX5.3   huawj
  • [CPMD-list] compiling error on an IBM Blade PPC970 AIX5.3   Alessandro Curioni
• [CPMD-list] is it ever possible to compile with gnu?   Philip Shemella
  • [CPMD-list] is it ever possible to compile with gnu?   Axel Kohlmeyer
  • [CPMD-list] is it ever possible to compile with gnu?   Kozin, I (Igor)
• [CPMD-list] Running CPMD on multi-core Opeton cluster   Yiming Zhang
  • [CPMD-list] Running CPMD on multi-core Opeton cluster   Axel Kohlmeyer
  • [CPMD-list] Running CPMD on multi-core Opeton cluster   Kozin, I (Igor)
  • [CPMD-list] Running CPMD on multi-core Opeton cluster   Reuti

Last message date: Tue Oct 31 21:51:57 CET 2006
Archived on: Sat Mar 10 00:15:04 CET 2007

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