[Pw_forum] Is Electronic-Enthalpy Functional for Finite Systems Under Pressure implemented in espresso-3.2?
xianghjun at gmail.com
Thu Sep 6 18:46:30 CEST 2007
Dear Dr. Cococcioni,
Thank you very much for your reply.
I will try to use the CVS version.
PS, I am sorry for sending duplicating e-mails.
H. J. Xiang
Postdoctoral Research Associate
National Renewable Energy Laboratory
Matteo Cococcioni wrote:
> Dear Hongjun,
> the electronic enthalpy is not contained in the current official
> version of the code (v 3.2).
> However it's implemented in the CVS version (README.cvs for
> instruction on how to download it) of
> the package. Precisely it's contained in the CP part (directory CPV).
> Instructions contained in
> INPUT_CP should be enough to run a calculation with the electronic
> enthalpy. Otherwise feel free to ask for more help.
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