[Pw_forum] Full Trajectory with cppp.x

Natalie Paige Schieber Natalie.Schieber at colorado.edu
Mon Jun 6 18:29:39 CEST 2016


The .pos file has 60 frames in it. It does not seem to be reading in the
inputs in the input to cppp.x correctly. When I change the output to 'grd'
it does not give me any errors but it still produces a single frame xsf
file and no .axsf file so I suspect the ldynamics '.true.' isn't being read
in. Is there something wrong with my formatting on the second input file?
Thanks!

On Sun, Jun 5, 2016 at 4:32 PM, Giovanni La Penna <
lapenna.giovanni at gmail.com> wrote:

> Natalie,
>
>  Please, check how many configurations you have in the
> prefix.pos file output of CP. There should be 60x(nat+1) lines.
> It looks like you have a truncated trajectory.
>
>                   Giovanni (Cnr, Firenze, Italy)
>
> 2016-06-05 21:54 GMT+02:00 Natalie Paige Schieber <
> Natalie.Schieber at colorado.edu>:
>
>> For some reason, there is no .axsf file in the output directory, just a
>> .xsf file that is also a single trajectory. Do you have any ideas why this
>> could be so?
>>
>>
>>
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