May 2016 Archives by author

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Starting: Wed May 4 09:34:18 UTC 2016
Ending: Tue May 31 13:18:10 UTC 2016
Messages: 115

• Segmentation Fault   Samuel Andermatt
• Segmentation Fault   Samuel Andermatt
• Segmentation Fault   Samuel Andermatt
• Segmentation Fault   Samuel Andermatt
• non-Hermitian operators   Samuel Andermatt
• non-Hermitian operators   Samuel Andermatt
• constrained MD simulation crashes. Why ?   Samuel Andermatt
• The MEMORY consumption of HYBRID-DFT calculation of periodic system   Samuel Andermatt
• Trouble in H2O-32.inp of tests   Andre
• Trouble in H2O-32.inp of tests   Andre
• Trouble in H2O-32.inp of tests   Andre
• Transition State Optimization with Dimer Method   Natalie Austin
• [CP2K:7719] Transition State Optimization with Dimer Method   Natalie Austin
• CP2K talks on www.cp2k.org (was: Re: [CP2K:7764] magnetization of bcc-Fe)   Michael Banck
• non-Hermitian operators   Caleb
• non-Hermitian operators   Caleb
• BSSE Calculation while using two copper types   Chris Campbell
• [CP2K:7715] BSSE Calculation while using two copper types   Chris Campbell
• [CP2K:7715] BSSE Calculation while using two copper types   Chris Campbell
• [CP2K:7757] BSSE Calculation while using two copper types   Chris Campbell
• [CP2K:7794] CP2K 4.0-dev version compilation fail with CUDA (cannotfind -lcudart -lcufft -lcublas)   Yongchul Chung
• CP2K 4.0-dev version compilation fail with CUDA (cannot find -lcudart -lcufft -lcublas)   Yongchul G. Chung
• [CP2K:7792] CP2K 4.0-dev version compilation fail with CUDA (cannotfind -lcudart -lcufft -lcublas)   Yongchul G. Chung
• The MEMORY consumption of HYBRID-DFT calculation of periodic system   Conrad
• constrained MD simulation crashes. Why ?   Manuel Corral
• constrained MD simulation crashes. Why ?   Manuel Corral
• Indirect spin-spin coupling   Hossam Elgabarty
• Problematic CUTOFF convergence for bulk wurtzite ZnO   Soumya Ghosh
• POWELL| Error in trust region   Zhendong Guo
• Raman Intensities   Frank von Horsten
• [CP2K:781] Re: Parameter choice for GAPW   Janos... at googlemail.com
• [CP2K:7764] magnetization of bcc-Fe   Ralph Koitz
• Splines in CP2K   Matthias Krack
• [CP2K:6734] Re: CP2K/ASE tests   Satish Kumar
• [CP2K:7730] Re: CP2K/ASE tests   Satish Kumar
• [CP2K:7730] Re: CP2K/ASE tests   Satish Kumar
• CP2K talks on www.cp2k.org (was: Re: [CP2K:7788] magnetization of bcc-Fe)   Teodoro Laino
• ELPA, libsmm and/or libxsmm. what is the best libraries combination?   Alfio Lazzaro
• [CP2K:7715] BSSE Calculation while using two copper types   S Ling
• [CP2K:7749] Missing file on Compiling the trunk of 2015-11-30 ?   S Ling
• [CP2K:7757] BSSE Calculation while using two copper types   S Ling
• [CP2K:7761] BSSE Calculation while using two copper types   S Ling
• [CP2K:7809] Cell optimization : z direction constraint   S Ling
• [CP2K:7816] Cell optimization : z direction constraint   S Ling
• [CP2K:7820] Re: possible typo in the NLCC_POTENTIALS file?   S Ling
• HSEsol functional   S. Ling
• [CP2K:7757] BSSE Calculation while using two copper types   S. Ling
• possible typo in the NLCC_POTENTIALS file?   S. Ling
• CDFT non-convergence of the outer SCF   Marta
• Splines in CP2K   Christopher Mauney
• possible typo in the NLCC_POTENTIALS file?   Tiziano Müller
• Segmentation Fault   Rizwan Nabi
• Segmentation Fault   Rizwan Nabi
• Segmentation Fault   Rizwan Nabi
• Segmentation Fault   Rizwan Nabi
• The MEMORY consumption of HYBRID-DFT calculation of periodic system   Rizwan Nabi
• DFT+U calculation error   Rizwan Nabi
• The MEMORY consumption of HYBRID-DFT calculation of periodic system   Rizwan Nabi
• The MEMORY consumption of HYBRID-DFT calculation of periodic system   Rizwan Nabi
• New Release of LIBXSMM   Hans Pabst
• Compilation bug   Hans Pabst
• ELPA, libsmm and/or libxsmm. what is the best libraries combination?   Hans Pabst
• Trouble in H2O-32.inp of tests   Hans Pabst
• Trouble in H2O-32.inp of tests   Hans Pabst
• NPH simulation   SaeeD PourasaD
• mixed derivatives during vibrational analysis   Dr. Sandeep Kumar Reddy
• [CP2K:7738] mixed derivatives during vibrational analysis   Dr. Sandeep Kumar Reddy
• [CP2K:7729] Re: CP2K/ASE tests   Ole Schütt
• [CP2K:7730] Re: CP2K/ASE tests   Ole Schütt
• CP2K talks on www.cp2k.org (was: Re: [CP2K:7779] magnetization of bcc-Fe)   Ole Schütt
• How to obtain derivatives of electric dipole moments and polarizabilities?   Zhitao Shen
• R_CUTOFF vdWaals pair potential   Guilherme da Silva
• [CP2K:7782] Re: R_CUTOFF vdWaals pair potential   Guilherme da Silva
• [CP2K:7200] Missing file on Compiling the trunk of 2015-11-30 ?   David T
• [CP2K:7749] Missing file on Compiling the trunk of 2015-11-30 ?   David T
• ELPA, libsmm and/or libxsmm. what is the best libraries combination?   David T
• problems with periodic MP2   Matt W
• [CP2K:7758] magnetization of bcc-Fe   Matt W
• Trouble in H2O-32.inp of tests   Matt W
• Trouble in H2O-32.inp of tests   Matt W
• cp2k.ssmp openmp scheduling issue?   Johannes Wagner
• [CP2K:7765] magnetization of bcc-Fe   Yi Wang
• [CP2K:7766] magnetization of bcc-Fe   Yi Wang
• [CP2K:7767] magnetization of bcc-Fe   Yi Wang
• Geo_opt   celio angel
• Geo_opt   celio angel
• Geo_opt   celio angel
• [CP2K:7734] problems with periodic MP2   hut... at chem.uzh.ch
• [CP2K:7738] mixed derivatives during vibrational analysis   hut... at chem.uzh.ch
• [CP2K:7758] magnetization of bcc-Fe   hut... at chem.uzh.ch
• [CP2K:7764] magnetization of bcc-Fe   hut... at chem.uzh.ch
• [CP2K:7782] Re: R_CUTOFF vdWaals pair potential   hut... at chem.uzh.ch
• [CP2K:7790] Geo_opt   hut... at chem.uzh.ch
• [CP2K:7797] Re: Geo_opt   hut... at chem.uzh.ch
• [CP2K:7798] Re: Geo_opt   hut... at chem.uzh.ch
• [CP2K:7805] How can cp2k compute Born effective charges   hut... at chem.uzh.ch
• [CP2K:7812] spin-orbit coupling   hut... at chem.uzh.ch
• Cell optimization : z direction constraint   ashish dabral
• [CP2K:7809] Cell optimization : z direction constraint   ashish dabral
• [CP2K:7816] Cell optimization : z direction constraint   ashish dabral
• magnetization of bcc-Fe   wang... at gmail.com
• [CP2K:7758] magnetization of bcc-Fe   wang... at gmail.com
• [CP2K:7758] magnetization of bcc-Fe   wang... at gmail.com
• magnetization of bcc-Fe   wang... at gmail.com
• How can cp2k compute Born effective charges   zhj... at gmail.com
• How can cp2k compute Born effective charges   zhj... at gmail.com
• [CP2K:7792] CP2K 4.0-dev version compilation fail with CUDA (cannotfind -lcudart -lcufft -lcublas)   hqzhou
• when GEO_OPT pure mental Al all atoms turned into chaos,can someone tell me why?thankyou?   smzhe... at imr.ac.cn
• [CP2K:7719] Transition State Optimization with Dimer Method   luca
• [CP2K:7721] Transition State Optimization with Dimer Method   luca
• orbital shielding for solids (open shell systems LiMnPO4, high spin)   arobendo mondal
• help in optimization structure   roben nano
• problems with periodic MP2   katarína stančiaková
• [CP2K:7734] problems with periodic MP2   katarína stančiaková
• GEO_OPT convergence problems   daniela ortega ulloa

Last message date: Tue May 31 13:18:10 UTC 2016
Archived on: Thu Mar 3 11:47:37 UTC 2022

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