STRESS TENSOR
simin pahlavi
simin.... at gmail.com
Fri Jun 8 12:16:15 UTC 2018
Hello CP2K users,
I have to simulate a system in high pressure condition with ab initio
molecular dynamics in NPT ensamble.
I am new in cp2k and I wanted to ask what kind of STRESS TENSOR calculation
is more relevant?
NUMERICAL? ANALYTICAL ?...
Thanks in advance
Simin
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