May 2007 Archives by subject

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Starting: Tue May 1 16:44:35 CEST 2007
Ending: Thu May 31 16:22:06 CEST 2007
Messages: 68

• [CPMD-list] (no subject)   davidofkozlowski
• [CPMD-list] (no subject)   Axel Kohlmeyer
• [CPMD-list] (no subject)   qfzhang
• [CPMD-list] (no subject)   Axel Kohlmeyer
• [CPMD-list] (no subject)   Axel Kohlmeyer
• [CPMD-list] (no subject)   qfzhang
• [CPMD-list] (no subject)   Serge Ivanov
• [CPMD-list] =?GB2312?B?SG93IHRvIHBpY2sgYSBwcm9wZXIgQ09OVkVSR0VOQ0UgT1JCSVRBTCCjvw==?=   liu liuxiandong
• [CPMD-list] =?GB2312?B?SG93IHRvIHBpY2sgYSBwcm9wZXIgQ09OVkVSR0VOQ0UgT1JCSVRBTCCjvw==?=   Axel Kohlmeyer
• [CPMD-list] antiferromagnetism in CPMD   Yiming Zhang
• [CPMD-list] Bond length constraint in a QMMM simulation   Paul Fleurat-Lessard
• [CPMD-list] Bond length constraint in a QMMM simulation   Nisanth Nair
• [CPMD-list] Bond length constraint in a QMMM simulation   Paul Fleurat-Lessard
• [CPMD-list] Call for abstracts: Molecular Docking, Complexity, and Optimization. An ECCS 2007 Satellite Conference.   Carsten Baldauf
• [CPMD-list] cannot find -llapack-ifc   m_ariesto
• [CPMD-list] cannot find -llapack-ifc   bala at jncasr.ac.in
• [CPMD-list] cannot find -llapack-ifc   Axel Kohlmeyer
• [CPMD-list] CHARGES for solids   Jiri Houska
• [CPMD-list] CHARGES for solids   Axel Kohlmeyer
• [CPMD-list] Compilation Of CPMD on IBM AIX   Shashidhar G
• [CPMD-list] Compilation Of CPMD on IBM AIX   Juerg Hutter
• [CPMD-list] dynamics TD_METHOD_A SAOP   enrico.tapavicza at epfl.ch
• [CPMD-list] Geometry optimization problem   fafa chiker
• [CPMD-list] Geometry optimization problem   Axel Kohlmeyer
• [CPMD-list] Geometry optimization problem   fafa chiker
• [CPMD-list] Geometry optimization problem   Axel Kohlmeyer
• [CPMD-list] Help: cpmd installation on Altix 3700   Axel Kohlmeyer
• [CPMD-list] Help: cpmd installation on Altix 3700   In-Keun Oh
• [CPMD-list] Help: cpmd installation on Altix 3700   Jiri Houska
• [CPMD-list] How to handle Disorder in Solids with CPMD?   osirixu-cpmd at yahoo.com.cn
• [CPMD-list] how to include water in QM part in a QMMM calculation   Yong Zhang
• [CPMD-list] how to include water in QM part in a QMMM calculation   Axel Kohlmeyer
• [CPMD-list] how to include water in QM part in a QMMM calculation   Yong Zhang
• [CPMD-list] how to include water in QM part in a QMMM calculation   Axel Kohlmeyer
• [CPMD-list] how to include water in QM part in a QMMM calculation   Axel Kohlmeyer
• [CPMD-list] how to include water in QM part in a QMMM calculation   Yong Zhang
• [CPMD-list] how to include water in QM part in a QMMM calculation   Yong Zhang
• [CPMD-list] negative frequencies obtained after vibrational analysis   Alexandr Isayev
• [CPMD-list] negative frequencies obtained after vibrational analysis   Alexandr Isayev
• [CPMD-list] negative frequencies obtained after vibrational analysis   Axel Kohlmeyer
• [CPMD-list] negative frequencies obtained after vibrational analysis   Nagesh Babu Idupulapati
• [CPMD-list] partial charges   Robert fiske
• [CPMD-list] partial charges   Axel Kohlmeyer
• [CPMD-list] Platform-dependent wave function optimization results   Axel Kohlmeyer
• [CPMD-list] Platform-dependent wave function optimization results   Vladimir Stegailov
• [CPMD-list] Platform-dependent wave function optimization results   Vladimir Stegailov
• [CPMD-list] Platform-dependent wave function optimization results   Axel Kohlmeyer
• [CPMD-list] Platinum input   Leandro Moreira de Campos Pinto
• [CPMD-list] problem with geometry optimisation   Emmanuel Baribefe Naziga
• [CPMD-list] problem with geometry optimisation   Axel Kohlmeyer
• [CPMD-list] Pseudopotential for Pd   Axel Kohlmeyer
• [CPMD-list] Pseudopotential for Pd   Samir Mushrif
• [CPMD-list] Pt basis set   Axel Kohlmeyer
• [CPMD-list] Pt basis set   Leandro Moreira de Campos Pinto
• [CPMD-list] Pt basis set   Axel Kohlmeyer
• [CPMD-list] Pt basis set   Leandro Moreira de Campos Pinto
• [CPMD-list] Running cpmd on Altix   Jiri Houska
• [CPMD-list] Running cpmd on Altix   Juerg Hutter
• [CPMD-list] Running cpmd on Altix (again)   Jiri Houska
• [CPMD-list] Running cpmd on Altix (again)   Axel Kohlmeyer
• [CPMD-list] Running cpmd on Altix (again)   Axel Kohlmeyer
• [CPMD-list] TDDFT Forces Calculation   Matteo Guglielmi
• [CPMD-list] TDDFT Forces Calculation   Juerg Hutter
• [CPMD-list] too long Si-O bond-length from geometry optimization   liu liuxiandong
• [CPMD-list] too long Si-O bond-length from geometry optimization   bala at jncasr.ac.in
• [CPMD-list] too long Si-O bond-length from geometry optimization   Axel Kohlmeyer
• [CPMD-list] Visualization   Leandro Moreira de Campos Pinto
• [CPMD-list] Visualization   Axel Kohlmeyer

Last message date: Thu May 31 16:22:06 CEST 2007
Archived on: Thu May 31 16:21:23 CEST 2007

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