On Wed, 2013-03-27 at 08:31 +0800, Wei Zhou wrote:
> when I relax a structure, the error "Too many r-vectors?" appears
increase the value of mxr in PW/src/ewald.f90, PW/src/force_ew.f90,
PW/src/stres_ewa.f90, recompile
P.
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, v
will persist until I succeed!
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Dear Wang Wei,
You can do that by running a MD at finite temperature, then analyzing
the trajectory.
Bests
On Mon, Mar 25, 2013 at 12:11 AM, wangwei
wrote:
> Dear,
> Whether the phonon calculation can be run in finite temperature by pwscf
> program? And how to set the temperature?
>
> With bes
