[CP2K-user] [CP2K:13407] wrong with exporting wfn file

[shixun sun]

Hi, Matthias
Thank you very much for your answer!
best

Krack Matthias (PSI) <matthi... at psi.ch> 于2020年5月27日周三 下午10:12写道：

> Hi Sunshixun
>
>
>
> The wavefunction file .wfn is written in binary format and thus is not
> human-readable.
>
>
>
> HTH
>
>
>
> Matthias
>
>
>
> *From:* cp... at googlegroups.com <cp... at googlegroups.com> *On Behalf Of *shixun
> sun
> *Sent:* Mittwoch, 27. Mai 2020 15:48
> *To:* cp2k <cp... at googlegroups.com>
> *Subject:* [CP2K:13407] wrong with exporting wfn file
>
>
>
> Dear cp2k community,
>
>   I tried to get a wfn file for some calculations. And through an energy
> calculation, I got it successfully. however, when I inspect it, I found
> there's messy code in it. Does anyone know what causes it and how I am
> supposed to do it?  Millions of thanks for your help!
>
> Best,
>
> Sunshixun
>
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