[Pw_forum] How to change the weight parameter in hybrid functional?

Paolo Giannozzi giannozz at democritos.it
Fri Dec 12 10:51:48 CET 2008


Marci wrote:

> A better solution would be to add a new flag to the input parameters.

if one day hybrid calculations with variable exx_fraction  become
common, what you propose will be done for sure. In any event, everybody
can modify the code and add an input variable.  Some instructions  can
be found in the (would-be) developer manual on the quantum-espresso wiki:

http://www.quantum-espresso.org/wiki/index.php/Developer_Manual#Adding_or_modifying_input_variables


Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



More information about the users mailing list