December 2013 Archives by author

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Starting: Mon Dec 2 06:09:08 UTC 2013
Ending: Tue Dec 31 18:46:50 UTC 2013
Messages: 69

• Binding energy   Andreas Achazi
• terminated with signal 11   Andreas Achazi
• terminated with signal 11   Andreas Achazi
• How many DFT functionals are available in CP2K?   Samuel Andermatt
• chemical nature of LUMO states   Samuel Andermatt
• Binding energy   Samuel Andermatt
• [CP2K:4870] how to have the temperature rise without decomposion?   Samuel Andermatt
• [CP2K:4870] how to have the temperature rise without decomposion?   Samuel Andermatt
• [CP2K:4822] Re: How many DFT functionals are available in CP2K?   Michael Banck
• Constant-pressure MD with cell symmetry preserved   Iain Bethune
• PDOS eigenvalue order   Andrei Buin
• [CP2K:4840] Re: PDOS eigenvalue order   Andrei Buin
• Martyna Tuckerman solver 2D   Andrei Buin
• [CP2K:4885] Re: Martyna Tuckerman solver 2D   Andrei Buin
• TDDFPT calculations   Andrei Buin
• Calculation of the DISTANCE FUNCTION COLVAR   Chaim Dryzun
• how cp2k calculates PDOS   Artem Fediai
• The order of Wannier orbital indices in the output files.   JQ
• R_CUTOFF vdWaals pair potential   JanLos
• CPMD input   Kaye
• CPMD input   Kaye
• Outputting cell information and fractional coordinates   Matthias Krack
• cp2k on supermuc   Matthias Krack
• [CP2K:4812] Outputting cell information and fractional coordinates   Teodoro Laino
• [CP2K:4812] Outputting cell information and fractional coordinates   Teodoro Laino
• [CP2K:4828] harmonic constraint on collective variable   Teodoro Laino
• [CP2K:4830] parallelisation with CELL_OPT   Teodoro Laino
• [CP2K:4835] Calculation of the DISTANCE FUNCTION COLVAR   Teodoro Laino
• Specifying the "steepness" parameters in DFT-D3 damping function   Linc
• chemical nature of LUMO states   S. Ling
• chemical nature of LUMO states   S. Ling
• how to have the temperature rise without decomposion?   Jj Ll
• [CP2K:4870] how to have the temperature rise without decomposion?   Jj Ll
• problem in compile cp2k 2.4 for parallel code   Glen MacLachlan
• terminated with signal 11   Glen MacLachlan
• cp2k in Fedora and EPEL (RHEL/CentOS/Scientific Linux)   Dominik 'Rathann' Mierzejewski
• Vibrational Analysis   Pankaj Mishra
• Vibrational Analysis   Pankaj Mishra
• cp2k on supermuc   Massimo Delle Piane
• Europium GTH basis set   Florian Schiffmann
• [CP2K:4862] problem in compile cp2k 2.4 for parallel code   Ari Paavo Seitsonen
• [CP2K:4868] Re: optimization problem of a supercell   Ari Paavo Seitsonen
• [CP2K:4857] TDDFPT calculations   Frank Uhlig
• Europium GTH basis set   Alex Vozny
• CPMD input   Matt W
• PDOS eigenvalue order   Matt W
• [CP2K:4708] Re: Why simulation with PBE functional is too slow?   Matt W
• [CP2K:4830] parallelisation with CELL_OPT   Matt W
• Martyna Tuckerman solver 2D   Matt W
• [CP2K:4708] Re: Why simulation with PBE functional is too slow?   Huan Wang
• [CP2K:4848] Re: Why simulation with PBE functional is too slow?   Huan Wang
• [CP2K:4851] Re: How many DFT functionals are available in CP2K?   Huan Wang
• [CP2K:4856] Re: How many DFT functionals are available in CP2K?   Huan Wang
• Outputting cell information and fractional coordinates   fxco... at gmail.com
• ERRORL2 in task_list_methods:optimize_load_list   fxco... at gmail.com
• problem in compile cp2k 2.4 for parallel code   jian... at gmail.com
• problem in running cp2k test file H2O-128.inp   sant... at iiserb.ac.in
• harmonic constraint on collective variable   jacopos
• FIST-MM with charmm36 problem   tarak karmakar
• kohn-sham energy   leila
• How many DFT functionals are available in CP2K?   huan... at mail.huji.ac.il
• [CP2K:4832] how to have the temperature rise without decomposion?   hut... at pci.uzh.ch
• [CP2K:4836] R_CUTOFF vdWaals pair potential   hut... at pci.uzh.ch
• [CP2K:4803] kohn-sham energy   leila salimi
• parallelisation with CELL_OPT   isaac sugden
• [CP2K:4830] parallelisation with CELL_OPT   isaac sugden
• [CP2K:4830] parallelisation with CELL_OPT   isaac sugden
• [CP2K:4870] how to have the temperature rise without decomposion?   牛牛
• [CP2K:4881] how to have the temperature rise without decomposion?   牛牛

Last message date: Tue Dec 31 18:46:50 UTC 2013
Archived on: Thu Mar 3 11:47:32 UTC 2022

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