March 2008 Archives by author

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Starting: Sun Mar 2 02:01:30 CET 2008
Ending: Mon Mar 31 19:07:01 CEST 2008
Messages: 44

• [CPMD-list] Help a New User of CPMD on OPTIMIZE keyword   Charles Chen
• [CPMD-list] CPMD+PAW?   Charles Chen
• [CPMD-list] USPP + mesh kpoints for geometry optimization   Charles Chen
• [CPMD-list] Is it possible to keep the POINT GROUP fixed in geometry optimization and any molecular dynamics?   Charles Chen
• [CPMD-list] CPMD at Cray XT4   Alexandr Isayev
• [CPMD-list] CPMD at Cray XT4   Alexandr Isayev
• [CPMD-list] variable cell optimization troubles   Axel Kohlmeyer
• [CPMD-list] Bug?? Crash after 39000 steps..   Axel Kohlmeyer
• [CPMD-list] no convergenc for wavefunctions optimization   Axel Kohlmeyer
• [CPMD-list] Problem using CPMD parallel version   Axel Kohlmeyer
• [CPMD-list] CPMD at Cray XT4   Axel Kohlmeyer
• [CPMD-list] CPMD at Cray XT4   Axel Kohlmeyer
• [CPMD-list] CPMD at Cray XT4   Axel Kohlmeyer
• [CPMD-list] Help a New User of CPMD on OPTIMIZE keyword   Axel Kohlmeyer
• [CPMD-list] MD job   Axel Kohlmeyer
• [CPMD-list] CPMD+PAW?   Axel Kohlmeyer
• [CPMD-list] USPP + mesh kpoints for geometry optimization   Axel Kohlmeyer
• [CPMD-list] installing CPMD   Axel Kohlmeyer
• [CPMD-list] known problems & open issues in current (or recent) CPMD versions   Axel Kohlmeyer
• [CPMD-list] cpmd and gfortran   Axel Kohlmeyer
• [CPMD-list] known problems & open issues in current (or recent) CPMD versions   Axel Kohlmeyer
• [CPMD-list] Is it possible to keep the POINT GROUP fixed in geometry optimization and any molecular dynamics?   Axel Kohlmeyer
• [CPMD-list] Is it possible to keep the POINT GROUP fixed in geometry optimization and any molecular dynamics?   Axel Kohlmeyer
• [CPMD-list] LOOP WAS VECTORIZED   Axel Kohlmeyer
• [CPMD-list] geometry optimization - isotopes and convergence doubt   Axel Kohlmeyer
• [CPMD-list] about POPULATION ANALYSIS   Axel Kohlmeyer
• [CPMD-list] known problems & open issues in current (or recent) CPMD versions   Mark Kosmowski
• [CPMD-list] geometry optimization - isotopes and convergence doubt   Mark Kosmowski
• [CPMD-list] installing CPMD   Julen Larrucea
• [CPMD-list] about POPULATION ANALYSIS   Xiandong Liu
• [CPMD-list] Problem using CPMD parallel version   Mitrokhin
• [CPMD-list] remark: LOOP WAS VECTORIZED   Nora Mohamed
• [CPMD-list] LOOP WAS VECTORIZED   Nora Mohamed
• [CPMD-list] (UNCLASSIFIED)   Paul, Kristian (Cont, ARL/WMRD)
• [CPMD-list] Magnesium Pseudopotential (UNCLASSIFIED)   Paul, Kristian (Cont, ARL/WMRD)
• [CPMD-list] cpmd and gfortran   Krzysztof Sakrejda
• [CPMD-list] installing CPMD   Philip Shemella
• [CPMD-list] Bug?? Crash after 39000 steps..   Dave Sherman
• [CPMD-list] Tutorial at CECAM 13/05-16/05   Rodolphe Vuilleumier
• [CPMD-list] variable cell optimization troubles   radbalu at comcast.net
• [CPMD-list] Problem using CPMD parallel version   oksana ismailova
• [CPMD-list] MD job   mano mano
• [CPMD-list] installing CPMD   gbnarejo at mtu.edu
• [CPMD-list] no convergenc for wavefunctions optimization   kdong_bj at sina.com

Last message date: Mon Mar 31 19:07:01 CEST 2008
Archived on: Mon Mar 31 19:24:40 CEST 2008

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