[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.

Thanks,

Nasir

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?
>
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