[CP2K:7227] Re: Solid State Structure Optimization

Nasir, R. A n.a.r... at gmail.com
Wed Dec 9 09:49:14 UTC 2015

Dear Samuel,

Please find the input.xyz as attachment. I have submitted the input file
using both old and current developed version of CP2K and unfortunately, it
did not not change the story.



On Tue, Dec 8, 2015 at 9:14 AM, Samuel Andermatt <
samuel.a... at student.ethz.ch> wrote:

> Ok, I was confused because the file paths state CP2K2.5.1 (why are you
> using 2.5.1 parameter files?).
> Could you provide input.xyz so that your calculation can be reproduced?
> --
> You received this message because you are subscribed to a topic in the
> Google Groups "cp2k" group.
> To unsubscribe from this topic, visit
> https://groups.google.com/d/topic/cp2k/iEuA-hTixZ4/unsubscribe.
> To unsubscribe from this group and all its topics, send an email to
> cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at http://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20151209/3926aa1d/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: input.xyz
Type: chemical/x-pdb
Size: 9199 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20151209/3926aa1d/attachment.pdb>

More information about the CP2K-user mailing list