Hello,
I am using Abinit 7.0. I will get the latest version of libxc implemented and see if this will solve my problem. Thanks
Kind Regards
Adam Carreon
Search found 3 matches
- Thu Mar 28, 2013 4:11 pm
- Forum: Improving ABINIT
- Topic: RPP09 and BJ06 mGGA Functionals
- Replies: 2
- Views: 3838
- Fri Mar 01, 2013 10:20 pm
- Forum: Improving ABINIT
- Topic: RPP09 and BJ06 mGGA Functionals
- Replies: 2
- Views: 3838
RPP09 and BJ06 mGGA Functionals
Hello, I have been testing several LDA and GGA functionals over the past few weeks by calculating lattice constants and bulk moduli of several materials using pseudo-potentials I have generated. I have recently come to start using mGGA functionals and I tried using the RPP09 and BJ06 functionals to ...
- Tue Feb 19, 2013 8:44 pm
- Forum: Ground state
- Topic: MGGA Calculation
- Replies: 0
- Views: 1480
MGGA Calculation
Hello, I am looking to make a straight-forward calculation using the RPP09 Meta-GGA exchange with the Perdew - Wang 92 correlation to get the equation of state curve to calculate both the lattice constant and the bulk modulus. I have generated my own pseudo-potential from the RPP09 Meta-GGA and PW92...