How to define box dimensions in cp2k input
Babu
mpb... at gmail.com
Thu Oct 15 16:02:04 UTC 2015
Hi,
I'm new user of cp2k, I've gone through the input of cp2k, but didn't
understand following
1) how to define the simulation box size &CELL
A
.................
B
.................
C
.................
2) what are the
&BS
&ALPHA
NEL
L
N .... and beta follows..
How these values are defined and what they represents in the input.. please
tell me for Cu(II)
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