May 2005 Archives by thread

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Starting: Sun May 1 08:48:14 CEST 2005
Ending: Tue May 31 13:13:09 CEST 2005
Messages: 84

• [CPMD-list] Pair correlation function calculation   Younes Ansari
  • [CPMD-list] Pair correlation function calculation   Axel Kohlmeyer
• [CPMD-list] question about charge and cell dimension   sanjeev narooka
  • [CPMD-list] question about charge and cell dimension   Ari P Seitsonen
  • [CPMD-list] question about charge and cell dimension   Axel Kohlmeyer
• [CPMD-list] Fermi Energy of Bulk Gold   Zhenyu LI
  • [CPMD-list] Fermi Energy of Bulk Gold   Ari P Seitsonen
    • [CPMD-list] Re: Fermi Energy of Bulk Gold   Zhenyu LI
      • [CPMD-list] Re: Fermi Energy of Bulk Gold   Zhenyu LI
• [CPMD-list] New stable CPMD version - CPMD V3.9.2   Alessandro Curioni
• [CPMD-list] (no subject)   Rad Balu
  • [CPMD-list] (no subject)   Axel Kohlmeyer
• [CPMD-list] Cs_qi_LDA   Younes Ansari
  • [CPMD-list] Cs_qi_LDA   Axel Kohlmeyer
• [CPMD-list] from phonons to spring constants   Endres, Robert
• [CPMD-list] Memory allocation   Jiri Houska
  • [CPMD-list] Memory allocation   Axel Kohlmeyer
    • [CPMD-list] Memory allocation - CORRUPTED   Jiri Houska
• [CPMD-list] classical MD velocity incorporation in CPMD input file   sanjeev narooka
  • [CPMD-list] classical MD velocity incorporation in CPMD input file   Axel Kohlmeyer
• [CPMD-list] Compilation of version 3.9.2 under SGI Origin   Reinaldo Pis Diez
  • [CPMD-list] Compilation of version 3.9.2 under SGI Origin   Axel Kohlmeyer
    • [CPMD-list] Compilation of version 3.9.2 under SGI Origin   Reinaldo Pis Diez
      • [CPMD-list] Compilation of version 3.9.2 under SGI Origin   Axel Kohlmeyer
• [CPMD-list] still get NAN   Younes Ansari
• [CPMD-list] still get NAN2   Younes Ansari
  • [CPMD-list] still get NAN2   Juerg Hutter
    • [CPMD-list] Compilation with latest intel compiler(v8.1) and mkl lib(v7.2)   Yun Wang
      • [CPMD-list] Compilation with latest intel compiler(v8.1) and mkl lib(v7.2)   Axel Kohlmeyer
• [CPMD-list] CONVERGENCE ADAPT and TDDFT   Eung-Gun Kim
  • [CPMD-list] CONVERGENCE ADAPT and TDDFT   Juerg Hutter
• [CPMD-list] Help for uspp and model!   =?gb2312?B?c2h5bWE=?=
  • [CPMD-list] Help for uspp and model!   Axel Kohlmeyer
• [CPMD-list] Help for cohesive energy!   =?gb2312?B?c2h5bWE=?=
  • [CPMD-list] Help for cohesive energy!   Ari P Seitsonen
• [CPMD-list] discrepant total energies   Kozin, I (Igor)
  • [CPMD-list] discrepant total energies   Axel Kohlmeyer
• [CPMD-list] discrepant total energies   Kozin, I (Igor)
• [CPMD-list] guillaume_ferlat at hotmail.com   guillaume ferlat
• [CPMD-list] Help optimization of slab!   =?gb2312?B?c2h5bWE=?=
• [CPMD-list] Timestep problem   Younes Ansari
  • [CPMD-list] Timestep problem   Ari P Seitsonen
    • [CPMD-list] Timestep problem   Lukasz Walewski
      • [CPMD-list] Timestep problem   Ari P Seitsonen
• [CPMD-list] About cohesive energy!   =?gb2312?B?c2h5bWE=?=
• [CPMD-list] "how to create pseudopotential file"   s101bayu at mail.chem.itb.ac.id
  • [CPMD-list] "how to create pseudopotential file"   Axel Kohlmeyer
• [CPMD-list] Problems with Cray X1 build   Chris Borchert
  • [CPMD-list] Problems with Cray X1 build   Axel Kohlmeyer
    • [CPMD-list] Problems with Cray X1 build   Chris Borchert
• [CPMD-list] Calculations of pair correlation function   Younes Ansari
• [CPMD-list] Calculations of pair correlation function2   Younes Ansari
• [CPMD-list] WANNIER functions   Christian Krekeler
  • [CPMD-list] WANNIER functions   Oleg Yazyev
  • [CPMD-list] WANNIER functions   Juerg Hutter
• [CPMD-list] WANNIER functions   Christian Krekeler
• [CPMD-list] Restarting interrupted TDDFT geometry optimization   Eung-Gun Kim
  • [CPMD-list] Restarting interrupted TDDFT geometry optimization   Ari P Seitsonen
• [CPMD-list] Pair correlation function   Younes Ansari
  • [CPMD-list] Pair correlation function   Axel Kohlmeyer
• [CPMD-list] Restarting interrupted TDDFT geometry optimization   Eung-Gun Kim
• [CPMD-list] Restarting interrupted TDDFT geometry optimization   Salomon Billeter
  • [CPMD-list] Restarting interrupted TDDFT geometry optimization   Eung-Gun Kim
• [CPMD-list] Warning message in LSD calculation   Hong Won Keon
  • [CPMD-list] Warning message in LSD calculation   Axel Kohlmeyer
  • [CPMD-list] Warning message in LSD calculation   Bernd Kallies
• [CPMD-list] trying to confirm correct compilation of cpmd binary   Isaac Tamblyn
  • [CPMD-list] trying to confirm correct compilation of cpmd binary   Axel Kohlmeyer
• [CPMD-list] postdoctoral position   rjd
• [CPMD-list] workaround for problems with FILEOPEN   Axel Kohlmeyer
• [CPMD-list] A missing library?   Carl Krauthauser
  • [CPMD-list] A missing library?   Axel Kohlmeyer
    • [CPMD-list] A missing library?   Carl Krauthauser
      • [CPMD-list] A missing library?   Axel Kohlmeyer
• [CPMD-list] A missing library?   Carl Krauthauser
  • [CPMD-list] A missing library?   Axel Kohlmeyer
• [CPMD-list] population analysis mulliken   zhen gong
  • [CPMD-list] population analysis mulliken   Axel Kohlmeyer
• [CPMD-list] population analysis mulliken   gong zhen
• [CPMD-list] Lame question about functionals.   Jacek Wojdel
  • [CPMD-list] Lame question about functionals.   Axel Kohlmeyer
    • [CPMD-list] Lame question about functionals.   Jacek Wojdel
      • [CPMD-list] Lame question about functionals.   Axel Kohlmeyer
• [CPMD-list] water structure   Christian Krekeler

Last message date: Tue May 31 13:13:09 CEST 2005
Archived on: Sat Mar 10 00:15:00 CET 2007

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