Is it possible to run CPMD in the NPT ensemble?

Clicked A Few Times
Is it possible to run CPMD with constant pressure in nwchem? If so, how should the input file be written?

Forum Vet
It can run constant pressure QMD, possibly including MD, but I find an issue of it on Github, caused perhaps by the input. I think the input should be prepared by an NWCHEM professional.

NWCHEM also has a tutorial of an NPT simulation for a diamond crystal.

Forum >> NWChem's corner >> NWChem functionality