[Wien] how many type of XC founctional in wien2k
lilonghua
lilonghua at fjirsm.ac.cn
Fri May 22 09:17:10 CEST 2009
Hello everybody,
In SRC_lapw0, a lot of XC potential files (pbe,rpbe,hcth,ev92,blyp,b88,vpw91,wc05...) can be found. In UG we can find the index 1,5,11,12,13,18,19,20,27. I want to use "hcth", "ev92" but in lstart.f and lapw0.f I cann't find the entry. how can I find the corresponding index of XC? Thanks.
2009-05-22
lilonghua
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090522/47ef4d3b/attachment.html
More information about the Wien
mailing list