November 2002 Archives by thread

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Starting: Fri Nov 1 18:59:42 CET 2002
Ending: Fri Nov 29 22:26:55 CET 2002
Messages: 94

• [CPMD-list] constraints   Phineus Markwick
  • [CPMD-list] constraints   Axel Kohlmeyer
• [CPMD-list] constraints revisited   Phineus Markwick
  • [CPMD-list] constraints revisited   Axel Kohlmeyer
• [CPMD-list] MD at fixed tempeature   R Jkhurdakar
  • [CPMD-list] MD at fixed tempeature   Ari.P.Seitsonen at iki.fi
    • [CPMD-list] MD at fixed tempeature   R Jkhurdakar
      • [CPMD-list] MD at fixed tempeature   Ari.P.Seitsonen at iki.fi
• [CPMD-list] getting the CPMD code   Valentin Gogonea
• [CPMD-list] qery on KS energy calculation and eigenvalues   MENON, MAHESH
  • [CPMD-list] qery on KS energy calculation and eigenvalues   Ari.P.Seitsonen at iki.fi
• [CPMD-list] getting the CPMD code   Alessandro Curioni
• [CPMD-list] I couldn't receive the user name and password.   Yongjun Jiang
• [CPMD-list] problem with compiling CPMD   C ергей Лисенков
  • [CPMD-list] problem with compiling CPMD   Eyvaz Isaev
  • [CPMD-list] problem with compiling CPMD (Yu.Mitrokhin)   mit
• [CPMD-list] MPI jobs hang...for ever.   HW Sheng
• [CPMD-list] (no subject)   Rongjian Sa
• [CPMD-list] TM pseudopotential   Rongjian Sa
• [CPMD-list] Compiling CPMD using IFC and MKL   C ергей Лисенков
• [CPMD-list] problem with compiling CPMD   Eyvaz Isaev
  • [CPMD-list] problem with compiling CPMD   Axel Kohlmeyer
• [CPMD-list] Compiling CPMD 3.5.3. using IFC   C ергей Лисенков
  • [CPMD-list] Compiling CPMD 3.5.3. using IFC   Eyvaz Isaev
• [CPMD-list] Re: compilin CPMD (3.5.3) using IFC   Eyvaz Isaev
• [CPMD-list] Help with molecular crystals   mkosmows
  • [CPMD-list] Help with molecular crystals   Juerg Hutter
• [CPMD-list] (no subject)   Sergey
• [CPMD-list] "grid.x"   市川研究
• [CPMD-list] oxygen and graphite   Natasa Mateljevic
• [CPMD-list] optimization   Natasa Mateljevic
• [CPMD-list] How to get the CONSTRAINT file?   Martin Konopka
  • [CPMD-list] How to get the CONSTRAINT file?   Juerg Hutter
• [CPMD-list] Questions about MD   Salomon Billeter
• [CPMD-list] About NPT   Yi Gao
• [CPMD-list] Liquid calculation (fwd)   Chiranjib Majumder
• [CPMD-list] NiAl   ÌÚÓ¢Ôª
• [CPMD-list] Corrupted memory message on IBM-SP3   Jung Goo Lee
  • [CPMD-list] Corrupted memory message on IBM-SP3   Juerg Hutter
• [CPMD-list] pseudopotential files   Yi Gao
• [CPMD-list] Charge calculation   Julia Khalack
• [CPMD-list] problem with IFC and MKL   Sergey
• [CPMD-list] [Fwd: Charge calculation]   Julia Khalack
  • [CPMD-list] [Fwd: Charge calculation]   Juerg Hutter
    • [CPMD-list] [Fwd: Charge calculation]   Julia Khalack
• [CPMD-list] How to set the NOSE ELECTRONS parameters.   HW Sheng
  • [CPMD-list] How to set the NOSE ELECTRONS parameters.   HW Sheng
• [CPMD-list] how to calculate the H monovalent cation   Rongjian Sa
• [CPMD-list] Compiling Using IFC and MKL   Sergey
• [CPMD-list] the calculation of H monovalent cation   Juerg Hutter
• [CPMD-list] lattice parameter optimize   Xiong Yuming
  • [CPMD-list] lattice parameter optimize   Ari.P.Seitsonen at iki.fi
• [CPMD-list] XC in the pseudopotential file   cpmd
  • [CPMD-list] XC in the pseudopotential file   Ari.P.Seitsonen at iki.fi
• [CPMD-list] LSD   Natasa Mateljevic
  • [CPMD-list] LSD   Juerg Hutter
• [CPMD-list] geometry optimization   Natasa Mateljevic
• [CPMD-list] singlet and triplet   Natasa Mateljevic
  • [CPMD-list] singlet and triplet   cpmd
    • [CPMD-list] singlet and triplet   Natasa Mateljevic
• [CPMD-list] PhD position, Comput. Biochem., CSCS/ETH Zurich (fwd)   Dirk Deubel
• [CPMD-list] CPMD-list IFC compilation under SuSE 8.0   Alessandro Contini
  • [CPMD-list] CPMD-list IFC compilation under SuSE 8.0   Christian Tuma
  • [CPMD-list] CPMD-list IFC compilation under SuSE 8.0   Eyvaz Isaev
    • [CPMD-list] CPMD-list IFC compilation under SuSE 8.0   Alessandro Contini
• [CPMD-list] compile the cpmd2cube   Rongjian Sa
• [CPMD-list] the basis sets of CPMD   Rongjian Sa
  • [CPMD-list] the basis sets of CPMD   cpmd-list at cpmd.org
  • [CPMD-list] the basis sets of CPMD   Juerg Hutter
• [CPMD-list] Question about molecular systems in CPMD   Christian Tuma
• [CPMD-list] Total energy for periodic systems with charged unit cell   Christian Tuma
  • [CPMD-list] Large-scale DFT calculations?   Ichiro Nagano
    • [CPMD-list] Large-scale DFT calculations?   HW Sheng
      • [CPMD-list] Large-scale DFT calculations?   Alessandro Curioni
• [CPMD-list] how to cpmpile the cpmd2cube   Rongjian Sa
• [CPMD-list] the difference between isolated molecule and Cell   Rongjian Sa
  • [CPMD-list] the difference between isolated molecule and Cell   Christian Tuma
  • [CPMD-list] the difference between isolated molecule and Cell   Juerg Hutter
• [CPMD-list] How to do unit cell optimization?   mkosmows
  • [CPMD-list] How to do unit cell optimization?   HW Sheng
• [CPMD-list] which pp choose   Pierre Mignon
• [CPMD-list] the compile of cpmd2cube   Rongjian Sa
• [CPMD-list] the compile of cpmd2cube   Rongjian Sa
• [CPMD-list] QM/MM problem   Rongjian Sa
  • [CPMD-list] QM/MM problem   Juerg Hutter
• [CPMD-list] How to do unit cell optimization?   mkosmows
  • [CPMD-list] How to do unit cell optimization?   HW Sheng
• [CPMD-list] the movie program   Rongjian Sa
  • [CPMD-list] the movie program   HW Sheng
• [CPMD-list] compile   ÐÜÓñÃ÷
• [CPMD-list] Initial velocities   Carina Bäcktorp
  • [CPMD-list] Initial velocities   Nikos Doltsinis
  • [CPMD-list] Initial velocities   Juerg Hutter
• [CPMD-list] compile   ÐÜÓñÃ÷

Last message date: Fri Nov 29 22:26:55 CET 2002
Archived on: Sat Mar 10 00:14:51 CET 2007

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