[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.
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