NPT and non-local vdw functional

Wei Lai wei.w... at
Tue Mar 7 04:51:49 UTC 2017

Dear cp2k users and developers,

I am wondering if non-local vdw functionals (e.g. optB88, rvv10) are 
compatible with NPT_F ensemble.  I tried both of these functionals and got 
stuck on the second timestep, without giving any warning/error message. 
 When I switched to NVT ensemble, everything worked just fine.

Regards, Wei
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