[CP2K-user] [CP2K:20325] Binary WFN file format

[Krack Matthias]

Hi Sumanti

CP2K’s binary wfn file contains only the coefficients of the Gaussian basis.

Best

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Sumanti Patra <sumanti1357 at gmail.com>
Date: Friday, 14 June 2024 at 12:24
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:20323] Binary WFN file format
Dear all,


I would like to know if the binary WFN file written by CP2K as output contains the coefficients for both gaussian basis and the plane wave basis?

If anyone has any insight, please share it. That would be really helpful.


Thanks,
Best regards,
Sumanti
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