[CP2K-user] How to get the SCF congvergence and MD step in real time in CP2K scripts

Zhiyin Gan ganz... at gmail.com
Mon Dec 30 07:21:18 UTC 2019


Dear all :

I hope  to read the actual  SCF convergence and MD step in real time in my 
scripts  to control the calculation flows, Could anyone help me to realize 
it ? 

Thanks.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191229/f9e4611c/attachment.htm>


More information about the CP2K-user mailing list