Trunk of 2015-12-15 freezes at SCF calculation
Andreas Glöss
andreas... at gmail.com
Wed Dec 16 08:56:59 UTC 2015
Dear Daniele,
Since version 2.6.x the allowed keywords for the XAS section have changed -
e.g. CONVERGENCE is not allowed anymore. Please check the reference manual (
manual <https://manual.cp2k.org/#gsc.tab=0>) and adapt your test.
To check the correctness of the CP2K code I recommend to run a full
regression test. Details on how to do this are documented here: regtesting
<https://www.cp2k.org/dev:regtesting>
Best regards,
Andreas Gloess
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