[QE-users] Running sub-routine v_of_rho

[Shivesh Sivakumar]

Hello QE users,

I wanted to retrieve the different contributions to the total potential in
my SCF calculation using the sub-routine v_of_rho. The aim is to break down
the different energy components (including exchange and correlation
separately, for which I modified some modules). But I do not want to
perform the SCF calculation again as it is a bit time-consuming. Is there a
way to just perform the sub-routine v_of_rho alone?

I tried something like 'gfortran v_of_rho.f90 <input> > <out>' but it
didn't work out ( I encountered some errors like 'Fatal Error: File
'kinds.mod' opened at (1) is not a GNU Fortran module file'. Would
appreciate any inputs on this.

Sincerely,
Shivesh Sivakumar
University of Washington-Seattle
WA-98105
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210119/3fe9f175/attachment.html>