April 2004 Archives by thread

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Starting: Thu Apr 1 01:47:06 CEST 2004
Ending: Fri Apr 30 17:52:04 CEST 2004
Messages: 87

• [CPMD-list] New user!   Dua Piyush
  • [CPMD-list] New user!   Axel Kohlmeyer
• [CPMD-list] BFGS update   Erik Emilio Santiso
• [CPMD-list] Segmentation fault   Dai Ling
• [CPMD-list] BFGS update   Salomon Billeter
  • [CPMD-list] BFGS update   Erik Santiso
• [CPMD-list] Uranium Plane-wave Pseudopotential   Aloysius Soon Sze Lok
• [CPMD-list] vibrational analysis problem   Davide.Provasi at mi.infn.it
• [CPMD-list] PGF90 64bit version / Opteron 64b / MALLOC / memory.F problem   Miroslav Capkovic
  • [CPMD-list] PGF90 64bit version / Opteron 64b / MALLOC / memory.F problem   Axel Kohlmeyer
• [CPMD-list] Cell optimization / symmetry   BOUYER Frédéric 153746
  • [CPMD-list] Cell optimization / symmetry   Axel Kohlmeyer
• [CPMD-list] BLYP Trouiller-Martins normconserving PP for Oxygen   Jim Kress
  • [CPMD-list] BLYP Trouiller-Martins normconserving PP for Oxygen   Juerg Hutter
  • Summary: [CPMD-list] BLYP Trouiller-Martins normconserving PP for Oxygen   Jim Kress
• [CPMD-list] Pseudopotentials and diferences in results   Jim Kress
  • [CPMD-list] Pseudopotentials and diferences in results   Juerg Hutter
    • [CPMD-list] Pseudopotentials and diferences in results   Jim Kress
      • [CPMD-list] Pseudopotentials and diferences in results   Juerg Hutter
• [CPMD-list] CPMD List and Varia   Alessandro Curioni
• [CPMD-list] Cell optimization / symmetry   BOUYER Frédéric 153746
• [CPMD-list] Segmentation fault for a molecular dynamics run   Dai Ling
  • [CPMD-list] Segmentation fault for a molecular dynamics run   Axel Kohlmeyer
• [CPMD-list] IRC using CPMD   Jim Kress
• [CPMD-list] Locating a Transition State   Jim Kress
  • [CPMD-list] Locating a Transition State   Salomon Billeter
    • [CPMD-list] Locating a Transition State   Jim Kress
• [CPMD-list] Problem with cpmd2cube   Magali BENOIT
  • [CPMD-list] Problem with cpmd2cube   Ari P Seitsonen
• [CPMD-list] stack entry size mismatch   Jim Kress
  • [CPMD-list] stack entry size mismatch   Salomon Billeter
• [CPMD-list] Segmentation fault for a molecular dynamics run   Dai Ling
  • [CPMD-list] Segmentation fault for a molecular dynamics run   Axel Kohlmeyer
  • [CPMD-list] Segmentation fault for a molecular dynamics run   Ari P Seitsonen
  • [CPMD-list] Segmentation fault for a molecular dynamics run   Juerg Hutter
• [CPMD-list] silicon simulation   =?gb2312?B?s8Igt+c=?=
• [CPMD-list] Segmentation fault for a molecular dynamics run   Dai Ling
  • [CPMD-list] Segmentation fault for a molecular dynamics run   Axel Kohlmeyer
• [CPMD-list] Compilation on NEC-SX   BOUYER Frédéric 153746
  • [CPMD-list] Compilation on NEC-SX   Ari P Seitsonen
• [CPMD-list] slow convergence with ODIIS   tangxin at student.dlut.edu.cn
  • [CPMD-list] slow convergence with ODIIS   Axel Kohlmeyer
    • [CPMD-list] slow convergence with ODIIS   Christian Tuma
      • [CPMD-list] slow convergence with ODIIS   Veronique Van Speybroeck
      • [CPMD-list] slow convergence with ODIIS   Axel Kohlmeyer
  • [CPMD-list] slow convergence with ODIIS   Atte Sillanpää
• [CPMD-list] stack entry size mismatch   Salomon Billeter
• [CPMD-list] Geometry Optimization of H2O and O2   Brian Jerry
  • [CPMD-list] Geometry Optimization of H2O and O2   Axel Kohlmeyer
• [CPMD-list] Energy and lattice constant   Oleksandr Shepelyev
  • [CPMD-list] Energy and lattice constant   Ari P Seitsonen
• [CPMD-list] CPMD compilation on SGI ORIGIN 200   John Kofi Dogbe
  • [CPMD-list] CPMD compilation on SGI ORIGIN 200   Veronique Van Speybroeck
    • [CPMD-list] CPMD compilation on SGI ORIGIN 200   John Kofi Dogbe
• [CPMD-list] Torsion constraints   Erik Santiso
  • [CPMD-list] Torsion constraints   Ari P Seitsonen
    • [CPMD-list] Torsion constraints   Erik Santiso
      • [CPMD-list] Torsion constraints   Ari P Seitsonen
• [CPMD-list] one typo and one problem   Christian Tuma
  • [CPMD-list] one typo and one problem   Juerg Hutter
• [CPMD-list] ELF-CPMD-WFN   Ivan Ivanov
  • [CPMD-list] ELF-CPMD-WFN   Axel Kohlmeyer
• [CPMD-list] Help required in MPI and MC..   latha at sscu.iisc.ernet.in
• [CPMD-list] MPI -- help required!   latha at sscu.iisc.ernet.in
• [CPMD-list] segmentation fault   Aloysius Soon Sze Lok
  • [CPMD-list] segmentation fault   Axel Kohlmeyer
• [CPMD-list] installation of CPMD   Xu Jing
• [CPMD-list] Re: Tool for CPMD-input creation   Davide.Provasi at mi.infn.it
• [CPMD-list] New User and Fundamental Questions   kohsj at ihpc.a-star.edu.sg
  • [CPMD-list] New User and Fundamental Questions   Axel Kohlmeyer
  • [CPMD-list] New User and Fundamental Questions   Alessandro Curioni
• [CPMD-list] MPI problem   latha at sscu.iisc.ernet.in
  • [CPMD-list] MPI problem   Axel Kohlmeyer
• [CPMD-list] test calculation problems.   Sombat Ketrat
  • [CPMD-list] test calculation problems.   Axel Kohlmeyer
  • [CPMD-list] test calculation problems.   Alessandro Curioni
• [CPMD-list] Tool for CPMD-input creation   Rad Balu
  • [CPMD-list] Tool for CPMD-input creation   Ari P Seitsonen
  • [CPMD-list] Tool for CPMD-input creation   Axel Kohlmeyer
  • [CPMD-list] Tool for CPMD-input creation   Holger Hesske
    • [CPMD-list] Tool for CPMD-input creation   Ari P Seitsonen
    • [CPMD-list] Tool for CPMD-input creation   Jan-Willem Handgraaf
      • [CPMD-list] Segmentation faults   Holger Hesske
      • [CPMD-list] Segmentation faults   Axel Kohlmeyer
      • [CPMD-list] Segmentation faults   Juerg Hutter
• [CPMD-list] ERROR MESSAGE in wavefunction optimization   Aloysius Soon Sze Lok
• [CPMD-list] Energy variations for calculations with torsional constraints   Veronique Van Speybroeck

Last message date: Fri Apr 30 17:52:04 CEST 2004
Archived on: Sat Mar 10 00:14:56 CET 2007

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