file of wave function

celio angel adil.e... at gmail.com
Thu Jun 12 13:36:52 UTC 2014


 Dear all users CP2K.I have a question concerning how to store a file in the 
wave function of the system to find the optimization to avoid the delay in 
calcul. is to say if you go to another étération there is no need to repeat the 
calculation to find the corresponding wave function is already trouver.il 
just call them from the file in which it is Stoke. 
thank you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140612/413e69a8/attachment.htm>


More information about the CP2K-user mailing list