[Pw_forum] Velocity re scaling in Pwscf MD calculation

[Sahida Kureshi]

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" <p.giannozzi at gmail.com>
To: "PWSCF Forum" <pw_forum at pwscf.org>
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 <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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