Dear Paolo, Thanks for the prompt response. I need to understand the given relation.
Thanks for your help, Sahida Kureshi Ph.D. Candidate Fuel Cell Research Lab. (FCReL) School of Mechatronic Systems Engineering Simon Fraser University 13450 102 Avenue, Surrey(BC)-V3T 0A3 CANADA ----- Original Message ----- From: "Paolo Giannozzi" <[email protected]> To: "PWSCF Forum" <[email protected]> Sent: Sunday, June 26, 2016 3:38:38 AM Subject: Re: [Pw_forum] Velocity re scaling in Pwscf MD calculation On Sun, Jun 26, 2016 at 11:03 AM, Sahida Kureshi <[email protected]> wrote: > Here it is mentioned in the parentheses first method, second method and third > method. > My question is what are those three different methods? Where I can find > explanation of these methods? In the sections describing the mentioned related variables: (first method) see parameters "tempw", "tolp", and "nraise" (second method) see parameters "tempw" and "nraise" (third method) see parameter "delta_t" Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
