problem in runing SCRF calculation
朱红
zhuho... at gmail.com
Sun Nov 27 15:21:53 UTC 2011
dear all:
When I want to do a SCRF computation, a strange INPUT error troubled me.
The program warn we to add a paramater named WEIGHT_TYPE for CENTER
section of the SCRF part, but in fact no paramater called WEIGHT_TYPE
can be found in the SCRF part of the input manual, and when I add the
WEIGHT_TYPE keyword to the input file, the program give a input_parsing
error. So, it's a bug for cp2k?
In addition, I found this probram has been posed by xujroman one year
ago, but no reply.
--
Zhu Hong
Department of Polymer Science and Engineering
University of Science and Technology of China
Hefei, Anhui 230026, P.R.China
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