[CP2K-user] [CP2K:20619] difference between RESTART.kp and RESTART.wfn

[Jürg Hutter]

Hi

CP2K has different code bases for the Gamma point special code and Kpoint calculations.
The restart files are not compatible.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Cheng <pengc10 at gmail.com>
Sent: Friday, August 23, 2024 9:46 PM
To: cp2k
Subject: [CP2K:20613] difference between RESTART.kp and RESTART.wfn

Dear all,

If I use k points, I get a XXX-RESTART.kp file. If I use Gamma point, I get a XXX-RESTART.wfn file. Could you please tell me what information is stored in these files? Can these two different file extensions be used interchangeably?

Thanks and regards,
Cheng


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