September 2014 Archives by author

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Starting: Tue Sep 2 11:27:18 UTC 2014
Ending: Tue Sep 30 12:52:50 UTC 2014
Messages: 61

• Thermal properties of metals with CP2K   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• Nickel cell optimization   Alex
• bug in CELL_OPT + GENMIX   Samuel Andermatt
• Doubts related to energy trends with XC functionals and cutoffs   Samuel Andermatt
• ask for help to prepare an input file and run a simulation   Samuel Andermatt
• Porting CP2K input file to run on GPU   Abhishek Bagusetty
• error #7747: Invalid parameter expression in dbcsr_types.F   Abhishek Bagusetty
• Compilation errors with CP2K (CUDA)   Abhishek Bagusetty
• Fwd: bug in CELL_OPT + GENMIX   Noam Bernstein
• [CP2K:5667] Re: bug in CELL_OPT + GENMIX   Noam Bernstein
• scissors operator   Andrei Buin
• [CP2K:5650] scissors operator   Andrei Buin
• TIP4P Water in CP2K   Sam J
• Phonon Calculations   Sam J
• [CP2K:5646] Phonon Calculations   Sam J
• [CP2K:5624] Total number of electrons is not accurate   Ali KACHMAR
• PLUMED and CP2K   Ralph Koitz
• Choosing the right system size - supercell   Tobias Kraemer
• Question of CP2K run on SDSC Gordon Cluster   C Mason
• AIMD simulation: increase of the number of the SCF cycles per MD step after some MD steps   Max
• AIMD simulation: increase of the number of the SCF cycles per MD step after some MD steps   Max
• AIMD simulation: increase of the number of the SCF cycles per MD step after some MD steps   Max
• [CP2K:5658] Semiempirical QMMM Calculation ?   Ravi
• AIMD simulation: increase of the number of the SCF cycles per MD step after some MD steps   Florian Schiffmann
• ask for help to prepare an input file and run a simulation   Florian Schiffmann
• Compilation errors with CP2K (CUDA)   Ole Schütt
• [CP2K:5633] Molecular dipole moment calculation from Semiempirical methods   Bharat Sharma
• [CP2K:5636] Molecular dipole moment calculation from Semiempirical methods   Bharat Sharma
• Semiempirical QMMM Calculation ?   Ravi Tripathi
• Nickel cell optimization   Matt W
• POL_SCF and Quadrupoles   Johannes Wagner
• Doubts related to energy trends with XC functionals and cutoffs   SRKC Sharma Yamijala
• [CP2K:5669] Re: Doubts related to energy trends with XC functionals and cutoffs   SRKC Sharma Yamijala
• error #7747: Invalid parameter expression in dbcsr_types.F   Zhengyi Zhang
• Molecular dipole moment calculation from Semiempirical methods   bharat
• [CP2K:5616] Compiling-with-plumed option disappeared in trunk version?   hut... at chem.uzh.ch
• [CP2K:5627] Pseudopotentials and DFT functionals   hut... at chem.uzh.ch
• [CP2K:5630] Pseudopotentials and DFT functionals   hut... at chem.uzh.ch
• [CP2K:5632] Molecular dipole moment calculation from Semiempirical methods   hut... at chem.uzh.ch
• [CP2K:5633] Pseudopotentials and DFT functionals   hut... at chem.uzh.ch
• [CP2K:5635] Molecular dipole moment calculation from Semiempirical methods   hut... at chem.uzh.ch
• [CP2K:5646] Phonon Calculations   hut... at chem.uzh.ch
• [CP2K:5648] Phonon Calculations   hut... at chem.uzh.ch
• [CP2K:5650] scissors operator   hut... at chem.uzh.ch
• [CP2K:5655] Total number of electrons is not accurate   hut... at chem.uzh.ch
• [CP2K:5658] Semiempirical QMMM Calculation ?   hut... at chem.uzh.ch
• [CP2K:5662] scissors operator   hut... at chem.uzh.ch
• [CP2K:5672] Total number of electrons is not accurate   hut... at chem.uzh.ch
• [CfP] 5th International Workshop on Model-driven Approaches for Simulation Engineering (Mod4Sim)   daniele
• ask for help to prepare an input file and run a simulation   m.dela... at gmail.com
• [CP2K:5611] Total number of electrons is not accurate   markus... at gmail.com
• [CP2K:5624] Total number of electrons is not accurate   markus... at gmail.com
• [CP2K:5655] Total number of electrons is not accurate   markus... at gmail.com
• Pseudopotentials and DFT functionals   mpol
• [CP2K:5627] Pseudopotentials and DFT functionals   mpol
• [CP2K:5627] Pseudopotentials and DFT functionals   mpol
• [CP2K:5630] Pseudopotentials and DFT functionals   mpol
• [CP2K:5633] Pseudopotentials and DFT functionals   mpol

Last message date: Tue Sep 30 12:52:50 UTC 2014
Archived on: Thu Mar 3 11:47:33 UTC 2022

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