[Wien] Wu-Cohen XC functional

Claudio Cazorla Silva c.silva at ucl.ac.uk
Thu Aug 24 18:47:02 CEST 2006


Dear Wien2K users,
I've already downloaded new version WIEN2k_06.4 to test the new Wu-Cohen 
xc functional
in bulk Mo. I usually perform calculations through the w2web interface, 
so at the moment I'm not allowed to
the select the desired GGA functional in the l start dialog (the option 
simply doesn't appear).
How could I overcome this? Which number is linked to the Wu-Cohen xc 
functional?
Thank you very much in advance!

Claudio


More information about the Wien mailing list