problem in runing SCRF calculation

朱红 zhuho... at
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

More information about the CP2K-user mailing list