[CP2K:1017] STRESS_TENSOR in QM/MM

[Teodoro Laino]

Moreover, this statement:

On 8 May 2008, at 10:18, Bart De Sterck wrote:

> In the code, it says that you cannot use GGA functionals with the
> STRESS_TENSOR calculation, so I used the PADE functional. When running
> a NVT simulation, no problems arise even when the calculation of the

is not correct. STRESS_TENSOR for LSD/GGA is not implemented.
GGA normally works with DFT.

Teo
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