luca.d... at gmail.com
Sat Dec 13 07:48:41 UTC 2014
I would like to perform a real time propagation
by using the XC_POTENTIAL SAOP.
I put that keyword as subsection of XC (in DFT).
CP2K does not complain but the calculation does not seem being affected
by the SAOP potential.
Where am I doing wrong?
Thank you in advance
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user