[ase-users] vdW-DFT in ABINIT

Filip Formalik filip.formalik at gmail.com
Wed Feb 10 13:07:29 CET 2016


Dear ASE users,

Does anybody can tell me how to use vdW-DFT functional in abinit library?
In the 'normal' abinit i use vdw-xc 5 commend to properly describe my
structure (which is graphite).

The second question is how to turn on optimization of the cell with BFGS
optimization method?

Thank you in advance,
-- 
Filip Formalik
+48530491468
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