[CP2K:459] Re: Annealing with NPT_F
teodor... at gmail.com
Thu Dec 6 17:27:21 CET 2007
Let me clarify this point. At the mometn the stress tensor is
debugged and works for FIST and GPW.
GAPW, QMMM, SE, KG: not working (i.e. the stress tensor gives wrong
In principle DFTB should work but as Juerg said right now it should
On 6 Dec 2007, at 17:22, Axel wrote:
> you want to use. last time i checked, not all did support
> computation of the stress tensor and thus NPT would not work.
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