structure file of pmma
Matt W
mattwa... at gmail.com
Wed May 9 17:54:58 UTC 2018
Hello,
really this forum can only help with specifics of running CP2K. Finding a
structure file isn't really something we can help with.
There are quite a number of resources now at https://www.cp2k.org/howto
and https://www.cp2k.org/exercises, which should help in setting up a
general calculation using CP2K.
Once you narrow down the question we are happy to help, but there is no way
of answering such a general question on an internet forum.
Matt
On Wednesday, May 9, 2018 at 12:15:22 PM UTC+1, Vikas Sharma wrote:
>
> Dear all,
>
> I am searching for an structure file to simulate the pmma for the academic
> project point of view.
>
> Kindly, help me to create the input file for the cp2k project including
> the details of structural input parameters.
> thanks in advance,
>
> --
> Dr. Vikas Sharma
> ----------------------------------
> Assistant Professor & Head, Department of Physics,
> School of Physical Sciences,
> Doon University, Dehradun 248001,
> Uttarakhand, India.
>
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