CELL_OPT keyword

Sandeep Kumar Reddy kuma... at gmail.com
Wed Mar 28 11:11:28 CEST 2012


Dear all,
                I would like to perform cell optimization with no
temperature using CP2K. I searched for this keyword in mailing list. I
didn't find many useful posts in this regard.  Since I am new to this type
of calculation, can you suggest me few references where this method is used
sucessfully ?
How should i check the correct value of CUTOFF for my system to carry out
this calculation?

Any suggestions for carrying out this calculations are greatly appreciated.


Thanks & Regards,
Sandeep
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