[Pw_forum] Velocity re scaling in Pwscf MD calculation
Paolo Giannozzi
p.giannozzi at gmail.com
Sun Jun 26 12:38:38 CEST 2016
On Sun, Jun 26, 2016 at 11:03 AM, Sahida Kureshi <skureshi at sfu.ca> 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
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