Home New since last time: 14 messages Discussions10 of 4443 messages view all » QMMM: QM box size By marco82 - May 23 - 1 author - 0 replies [CP2K:4460] neb : question about the number of scf optimizations for each band step for each replica By Andrea Floris - May 20 - 2 authors - 5 replies [CP2K:4452] Re: Error in charges increases every OUTER_SCF cycle. By Florian Schiffmann - May 18 - 2 authors - 1 reply simulating vibrational spectra in the solid state, help me! By Daria - May 17 - 3 authors - 4 replies Error in charges increases every OUTER_SCF cycle. By Florian Schiffmann - May 17 - 3 authors - 2 replies [CP2K:4427] Trying to instal cp2k using g95 it does't find yacc. See attached By Michael Banck - May 15 - 3 authors - 2 replies [CP2K:4422] PLUMED patch for cp2k By Hanning Chen - May 13 - 2 authors - 2 replies [CP2K:4408] changes between 2.1 and 2.3/2.4-trunk inside calculate_dispersion_pairpot subroutine By Marcin Zielinski - May 7 - 2 authors - 2 replies [CP2K:4417] WANNIER FUNCTIONS By Vincenzo Verdolino - May 7 - 2 authors - 2 replies WARNING printed by performing metadyn test from regtest-15 By Ider - May 7 - 1 author - 0 replies Report this group   XML       Send email to this group: cp2k@googlegroups.com