[Pw_forum] Documentation on atomic velocities

[LEUNG Clarence]

Dear Luis,

Do you use the cpmd of cp.x or the md in pw.x?

Thanks.

Clarence
City university of Hong Kong


-------- Original message --------
From: luisen <luisen at metodos.fam.cie.uva.es>
Date: 21/03/2017 20:42 (GMT+08:00)
To: pw_forum at pwscf.org
Subject: [Pw_forum] Documentation on atomic velocities


Dear developers,

I am interested in using atomic velocities generated in previous MD runs
in order to continue the MD calculation after a finished job (finished
either gracefully or abruptly).
I made a small program to compute the velocities from the positions and
modified slightly the code in order to read the velocities from a file
upon initialization if this file was present. It is however an ad-hoc
solution.

I have seen in the last distribution (6.1) that there is the possibility
of using a section in the input file named ATOMIC_VELOCITIES.

My question is if there is any documentation for its use, and if there
is any flag so as to output the velocities (in addition to positions) to
the output file, for later use as input in a subsequent run.

Yours,

         Luis Enrique Gonzalez
         Universidad de Valladolid
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