[Pw_forum] Is Electronic-Enthalpy Functional for Finite Systems Under Pressure implemented in espresso-3.2?

[Matteo Cococcioni]

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.

Regards,

Matteo



Hongjun Xiang wrote:
> Dear all,
> As mentioned in the paper [Phys. Rev. Lett. 94, 145501 (2005)] by
> Cococcioni et al.,
> this feature is implemented in PWSCF. Could someone tell me if this is
> included in the current version of PWSCF (v. 3.2)?
>
> Thank you very much.
>
> Best regards,
> Hongjun Xiang
>
> =============================================================
> H. J. Xiang
> Postdoctoral Research Associate
> National Renewable Energy Laboratory
> http://www4.ncsu.edu/~hxiang/
> =============================================================
>
>
>
>
>
>
>
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