Search found 3 matches
- Fri Feb 10, 2012 8:54 am
- Forum: Link to other codes
- Topic: BLYP Hybrid function
- Replies: 4
- Views: 5844
Re: BLYP Hybrid function
Dear All, I am afraid that there is a confusion here. As I know, being a combination of the B88 exchange and the LYP correlation, the BLYP functional is a GGA one, whereas, e.g., the B3LYP functional that contains the HF exact-exchange part and contributions coming from GGA and LDA functionals is a ...
- Fri Feb 04, 2011 1:04 pm
- Forum: Link to other codes
- Topic: [SOLVED] BLYP pseudopotentials
- Replies: 3
- Views: 4305
Re: BLYP pseudopotentials
Thanks a lot. I will try to realize such a scheme.
- Fri Feb 04, 2011 7:51 am
- Forum: Link to other codes
- Topic: [SOLVED] BLYP pseudopotentials
- Replies: 3
- Views: 4305
[SOLVED] BLYP pseudopotentials
Dear All,
Could you help me to find (or get some package to construct) BLYP spin-orbit pseudopotentials, e.g., for Tl, Pb, Bi, Sb, Te, Se? Thanks in advance.
Could you help me to find (or get some package to construct) BLYP spin-orbit pseudopotentials, e.g., for Tl, Pb, Bi, Sb, Te, Se? Thanks in advance.