From NWChem
You are viewing a single post from the thread title above
|
|
|
Clicked A Few Times
Threads 12
Posts 25
|
|
| 8:24:36 PM PST - Wed, Feb 1st 2012 |
|
I was wondering if Eric could code in HSE and or PBE0 into band. there is very little use of GGA or even worse LDA functionals in calculating electronic structure of solids as they miss it badly. hybrid functionals have a chance or LDA-U. neither is in band, I assume from the manual, so was wondering if Eric could code those in
thanks
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC
