June 2007 Archives by author

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Starting: Mon Jun 4 13:57:22 CEST 2007
Ending: Sat Jun 30 06:04:09 CEST 2007
Messages: 52

• [CPMD-list] problem reading restart of a QM/MM calculation   Xevi Biarnés (PCB)
• [CPMD-list] compilation problem   Aleksandr
• [CPMD-list] CLASSICAL MD WITH CPMD   Younes Ansari
• [CPMD-list] Problems of Kohn-Sham Energy   Hua Bao
• [CPMD-list] TDDFT geometry optimization error   Hua Bao
• [CPMD-list] TDDFT force calculation not compatible with NLCC pseudopotential?   Hua Bao
• [CPMD-list] RE> BO-MD starting problem after successful WFO   Matus Dubecky
• [CPMD-list] KOHN-SHAM ENERGIES, Segmentation fault   Shashidhar G
• [CPMD-list] CONSTRAINT file   Marie-Pierre GAIGEOT
• [CPMD-list] Platinum input   Juerg Hutter
• [CPMD-list] KOHN-SHAM ENERGIES, Segmentation fault   Juerg Hutter
• [CPMD-list] TDDFT force calculation not compatible with NLCC pseudopotential?   Juerg Hutter
• [CPMD-list] TDDFT force calculation not compatible with NLCC pseudopotential?   Juerg Hutter
• [CPMD-list] BO-MD starting problem after successful WFO   Axel Kohlmeyer
• [CPMD-list] Compilation problem: Intel Fortran 9.1 and em64t   Axel Kohlmeyer
• [CPMD-list] error in BO-PIMD   Axel Kohlmeyer
• [CPMD-list] error in BO-PIMD   Axel Kohlmeyer
• [CPMD-list] error in BO-PIMD   Axel Kohlmeyer
• [CPMD-list] BO-MD starting problem after WFO (at different nubmer of CPUs)   Axel Kohlmeyer
• [CPMD-list] Problems of Kohn-Sham Energy   Axel Kohlmeyer
• [CPMD-list] QM/MM with PBC   Axel Kohlmeyer
• [CPMD-list] CLASSICAL MD WITH CPMD   Axel Kohlmeyer
• [CPMD-list] compilation problem   Axel Kohlmeyer
• [CPMD-list] Are there any B3LYP pseudopotentials for transitional metals?   Axel Kohlmeyer
• [CPMD-list] CONSTRAINT file   Axel Kohlmeyer
• [CPMD-list] ab initio molecular dynamics simulations at the excited state   Axel Kohlmeyer
• [CPMD-list] TDDFT force calculation not compatible with NLCC pseudopotential?   Axel Kohlmeyer
• [CPMD-list] about debugging in cpmd   Axel Kohlmeyer
• [CPMD-list] Compilation problem: Intel Fortran 9.1 and em64t   Kozin, I (Igor)
• [CPMD-list] Are there any B3LYP pseudopotentials for transitional metals?   Xin Liu
• [CPMD-list] way to calculate the energy flux of a system?   Tengfei Luo
• [CPMD-list] QM/MM with PBC   Dan T Major
• [CPMD-list] Compilation problem: Intel Fortran 9.1 and em64t   Nisanth Nair
• [CPMD-list] KOHN-SHAM ENERGIES, Segmentation fault   Nisanth Nair
• [CPMD-list] about debugging in cpmd   Bin Pan
• [CPMD-list] ab initio molecular dynamics simulations at the excited state   Xiulin Ruan
• [CPMD-list] TDDFT force calculation not compatible with NLCC pseudopotential?   Xiulin Ruan
• [CPMD-list] compilation problem   Ari P Seitsonen
• [CPMD-list] about VIBEIGVEC   Ari P Seitsonen
• [CPMD-list] BO-MD starting problem after successful WFO   Vladimir Stegailov
• [CPMD-list] BO-MD starting problem after successful WFO   Vladimir Stegailov
• [CPMD-list] BO-MD starting problem after successful WFO   Vladimir Stegailov
• [CPMD-list] Compilation problem: Intel Fortran 9.1 and em64t   Vladimir Stegailov
• [CPMD-list] Compilation problem: Intel Fortran 9.1 and em64t   Vladimir Stegailov
• [CPMD-list] BO-MD starting problem after WFO (at different nubmer of CPUs)   Vladimir Stegailov
• [CPMD-list] Error with TDDFT MD   Yuming Sun
• [CPMD-list] about VIBEIGVEC   Yong Zhang
• [CPMD-list] CLASSICAL MD WITH CPMD   bala at jncasr.ac.in
• [CPMD-list] error in BO-PIMD   qfzhang
• [CPMD-list] error in BO-PIMD   qfzhang
• [CPMD-list] error in BO-PIMD   qfzhang
• [CPMD-list] How to determine the space group of md result using NPT ensemble?   osirixu-cpmd at yahoo.com.cn

Last message date: Sat Jun 30 06:04:09 CEST 2007
Archived on: Sat Jun 30 07:03:59 CEST 2007

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