being glad to join this group!!!
Hi Giacomo:
Dear all,
I was wandering if in the 2.0.1 version of SIESTA Harris functional is
also implemented for GGA.
No. The Harris functional only works for LDA.
Javier
-
Javier Junquera
Ciencias de
Dear Andrei:
We are about to release 2.0.2, which includes the patch for this. The
patch I originally sent
to Marcos was not correct (it broke the polarization section).
If you want to try the updated version now, you can download it from
http://fisica.ehu.es/ag/siesta/siesta-2.0.2-c.tgz
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