[CP2K-user] What size of box

sumit agrawal sumitag... at gmail.com
Sat May 15 07:40:13 UTC 2021

What will happen when my crystal system size (e.g. 2x2x2 unit cell of argon
crystal has dimensions of 2a=2b=2c=10.4458 A) and in the $CELL section my
box size is a=b=c=20 A ?

Should I take box size with the same dimensions (As i have taken for my
crystal structure) or can I take anysize?
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