wrong with exporting wfn file

[shixun sun]

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

[Krack Matthias (PSI)]

Hi Sunshixun

 

The wavefunction file .wfn is written in binary format and thus is not human-readable.

 

HTH

 

Matthias

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[shixun sun]

Hi, Matthias

Thank you very much for your answer!

best

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

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