May 2006 Archives by author

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Starting: Mon May 1 12:59:54 CEST 2006
Ending: Wed May 31 16:52:33 CEST 2006
Messages: 48

• Fw: [CPMD-list] Passwd for CPMD download   Alessandro Curioni
• [CPMD-list] difficulties with EPR calculations   Reinout Declerck
• [CPMD-list] difficulties with EPR calculations   Reinout Declerck
• [CPMD-list] convergence problems with linear response EPRcalculation   Reinout Declerck
• [CPMD-list] Error compilation of CPMD 3.11.1 on SGI_ORIGIN   Reinaldo Pis Diez
• [CPMD-list] Si geometry optimization test   Emre Ersin
• [CPMD-list] Si geometry optimization test   Juerg Hutter
• [CPMD-list] EKINC seems to go abnormal in CP Molecular Dynamics using NVE ensemble   Juerg Hutter
• [CPMD-list] Goedecker Fe pseudo   Juerg Hutter
• [CPMD-list] Is there any adapted BLYP-USPP for silicon?   Juerg Hutter
• [CPMD-list] need hydrogen PP with GGA XC energy   Alexandr Isayev
• [CPMD-list] Empty ENERGIES file on x86-64 systems   Alexandr Isayev
• [CPMD-list] Empty ENERGIES file on x86-64 systems   Alexandr Isayev
• test for 4096 cpus. was RE: [CPMD-list] Empty ENERGIES file on x86-64 systems   Alexandr Isayev
• [CPMD-list] How to pick a good CUTOFF to run BO-MD as fast as it can?   Alexandr Isayev
• test for 4096 cpus. was RE: [CPMD-list] Empty ENERGIES file on x86-64 systems   Bernd Kallies
• [CPMD-list] EKINC seems to go abnormal in CP Molecular Dynamics using NVE ensemble   Axel Kohlmeyer
• [CPMD-list] Empty ENERGIES file on x86-64 systems   Axel Kohlmeyer
• test for 4096 cpus. was RE: [CPMD-list] Empty ENERGIES file on x86-64 systems   Axel Kohlmeyer
• test for 4096 cpus. was RE: [CPMD-list] Empty ENERGIES file on x86-64 systems   Axel Kohlmeyer
• [CPMD-list] problems in starting cpmd   Axel Kohlmeyer
• [CPMD-list] Error compilation of CPMD 3.11.1 on SGI_ORIGIN   Axel Kohlmeyer
• [CPMD-list] How to pick a good CUTOFF to run BO-MD as fast as it can?   Axel Kohlmeyer
• [CPMD-list] position restraints not working   Martin Konopka
• [CPMD-list] position restraints not working   Martin Konopka
• test for 4096 cpus. was RE: [CPMD-list] Empty ENERGIES file on x86-64 systems   Kozin, I (Igor)
• [CPMD-list] Goedecker Fe pseudo   Matthias Krack
• [CPMD-list] tddft properties BIS   Eneritz Muguruza
• [CPMD-list] See you tonight!   Parrinello
• [CPMD-list] linear response convergence   Daniel Sebastiani
• [CPMD-list] position restraints not working   Ari P Seitsonen
• [CPMD-list] position restraints not working   Ari P Seitsonen
• [CPMD-list] How make the calculation as effcient as passible on linux-cluster   Yuanliang Xie
• [CPMD-list] problems in starting cpmd   Silviu Zilberman
• [CPMD-list] problems in starting cpmd   Silviu Zilberman
• [CPMD-list] Goedecker Fe pseudo   Silviu Zilberman
• [CPMD-list] Goedecker Fe pseudo   Silviu Zilberman
• [CPMD-list] difficulties with EPR calculations   Silviu Zilberman
• [CPMD-list] difficulties with EPR calculations   Silviu Zilberman
• [CPMD-list] convergence problems with linear response EPR calculation   Silviu Zilberman
• [CPMD-list] convergence problems with linear response EPRcalculation   Silviu Zilberman
• [CPMD-list] linear response convergence   Silviu Zilberman
• [CPMD-list] Passwd for CPMD download   niharendu choudhury
• [CPMD-list] need hydrogen PP with GGA XC energy   gunaydin at ucla.edu
• [CPMD-list] EKINC seems to go abnormal in CP Molecular Dynamics using NVE ensemble   osirixu-cpmd at yahoo.com.cn
• [CPMD-list] How can we check if the nose parameters are good or not from the cpmd output?   osirixu-cpmd at yahoo.com.cn
• [CPMD-list] Is there any adapted BLYP-USPP for silicon?   osirixu-cpmd at yahoo.com.cn
• [CPMD-list] How to pick a good CUTOFF to run BO-MD as fast as it can?   osirixu-cpmd at yahoo.com.cn

Last message date: Wed May 31 16:52:33 CEST 2006
Archived on: Sat Mar 10 00:15:03 CET 2007

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