Improve the speed of QS in cp2k
sungen... at gmail.com
sungen... at gmail.com
Fri Jan 16 13:32:58 UTC 2015
Hello, evergyone
Could anyone give any generic comments on how to improve the DFT ( I
mean the speed),
calculations in cp2k.
I want to use the cp2k studying surfaces of metals or oxides. I read
the documents , and I can run the structure optimization successfully,
But too many parameters for consideration. I want to know if any
parameter is the most important, and it's need carefully to be tested.
Thanks !
Geng Sun
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