LC-wPBEh functional problem


Click here for full thread
Clicked A Few Times
8:54:35 AM PDT - Thu, Jun 27th 2013
Hi, Bert,

There is a problem to use LC-wPBEh functional.

xc xwpbe 0.80 cpbe96 1.0 hfexch 1.00
cam 0.2 cam_alpha 0.20 cam_beta 0.80

It appears that there is no xwpbe XC functional in NWChem 6.1 (or 6.3?) because I have got error message "xc_input: invalid format".

I am wondering if we should change something for it.

Thanks
Shuqiang