June 2016 Archives by subject

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Starting: Wed Jun 1 08:00:05 UTC 2016
Ending: Thu Jun 30 22:41:42 UTC 2016
Messages: 56

• "Cholesky failed" problems new in cp2k 3.0 and trunk versions   Christian Tuma
• "Cholesky failed" problems new in cp2k 3.0 and trunk versions   Marcella Iannuzzi
• [CP2K:6867] Optimize pseudopotential and Basis Set for correlation-exchange functional B97M-V   Janos... at googlemail.com
• [CP2K:7356] Eigenvalue Kpoint.   Matthias May
• [CP2K:7812] spin-orbit coupling   wei... at gmail.com
• [CP2K:7826] Re: Cell optimization : z direction constraint   Ralph Koitz
• [CP2K:7829] van der Waals interactions   hut... at chem.uzh.ch
• [CP2K:7829] van der Waals interactions   S Ling
• [CP2K:7837] CP2K on intel xeon phi   Iain Bethune
• [CP2K:7839] Re: HF Energy calculation with Pb   hut... at chem.uzh.ch
• [CP2K:7840] Printing Core Charges for Bader analysis   S Ling
• [CP2K:7842] Re: Printing Core Charges for Bader analysis   Satish Kumar
• [CP2K:7844] Eigenvalue Kpoint.   hut... at chem.uzh.ch
• [CP2K:7846] Printing Core Charges for Bader analysis   Satish Kumar
• [CP2K:7856] Optimize RI Basis sets   hut... at chem.uzh.ch
• [CP2K:7859] COMMENSURATE grids for QM/MM   hut... at chem.uzh.ch
• [CP2K:7861] Including inner shell electrons in GPW calculations   hut... at chem.uzh.ch
• [CP2K:7866] Re: "Cholesky failed" problems new in cp2k 3.0 and trunk versions   hut... at chem.uzh.ch
• [CP2K:7866] Re: "Cholesky failed" problems new in cp2k 3.0 and trunk versions   Christian Tuma
• [CP2K:7870] CP2K binaries for 32bit Windows   Ole Schütt
• [CP2K:7871] Precompile cp2k-3.0 version   Dominik 'Rathann' Mierzejewski
• [CP2K:7874] Re: Availability of MOLOPT basis sets   S Ling
• [CP2K:7874] Re: Availability of MOLOPT basis sets   Feng Lai
• Availability of MOLOPT basis sets   Feng Lai
• Cell optimization : z direction constraint   josué Maya
• COMMENSURATE grids for QM/MM   Janos... at googlemail.com
• constrained MD simulation crashes. Why ?   Manuel Corral
• constrained MD simulation crashes. Why ?   Matt W
• cp2K-3.0 installation error   josué Maya
• CP2K on intel xeon phi   Aman Jindal
• CP2K on intel xeon phi   Hans Pabst
• CP2K Summer School 23-26 August 2016   Iain Bethune
• hello all   NKK
• HF Energy calculation with Pb   Michael Deible
• Including inner shell electrons in GPW calculations   Rustam
• Including inner shell electrons in GPW calculations   Marcella Iannuzzi
• LibSMM compilation on Cray   la... at iu.edu
• LibSMM compilation on Cray   Alfio Lazzaro
• libxstream error during building   TheShabbyblue
• No Max and RMS Force section updated in the output file for CI-NEB with PBE0 functional   stclair
• Nonperiodic NMR Calculations   John Kattirtzi
• Optimize RI Basis sets   Michael Deible
• Plumed input in cp2k   Luiz Fernando Lopes Oliveira
• Plumed input in cp2k   Matt W
• Plumed input in cp2k   Luiz Fernando Lopes Oliveira
• Precompile cp2k-3.0 version   josué Maya
• Precompile cp2k-3.0 version   brhr
• Printing Core Charges for Bader analysis   Satish Kumar
• Printing Core Charges for Bader analysis   Matt W
• Print pressure to file in DFT MD calculation   Simiam Ghan
• Print pressure to file in DFT MD calculation   Marcella Iannuzzi
• The MEMORY consumption of HYBRID-DFT calculation of periodic system   Conrad
• The MEMORY consumption of HYBRID-DFT calculation of periodic system   Rizwan Nabi
• Total dipole or dipole moments?   huan... at mail.huji.ac.il
• Using B97M-V functional from trunk version of LIBXC in CP2K simulation   Janos... at googlemail.com
• van der Waals interactions   SaeeD PourasaD

Last message date: Thu Jun 30 22:41:42 UTC 2016
Archived on: Thu Mar 3 11:47:37 UTC 2022

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