Mixed - Linear combination
Samuel Andermatt
samuel.a... at student.ethz.ch
Wed Dec 17 15:03:17 UTC 2014
You will need 3 force_eval sections. The first one has the keyword:
FORCE_EVAL&MIXED&LINEAR&LAMBDA there you give your k parameter in.
The second and third force_eval sections contain the input for the charged
and the neutral calculation.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141217/08c3d837/attachment.htm>
More information about the CP2K-user
mailing list