Page 1 of 1

Interface between wannier90 and vasp

Posted: Sun Jul 17, 2011 7:42 pm
by yyrwater
I here that the interface between vasp and wannier90 is added in the version of vasp.5.2.11. But after add the parameter of

LWANNIER90=.TURE.

in INCAR, there is nothing happens. It seems we can not use it by this way.

Anybody can tell me how to use the interface between wannier90 and vasp ?

Interface between wannier90 and vasp

Posted: Tue Jul 19, 2011 6:35 am
by tlchan
It seems like the Wannier function is deactivated by default, hence the option in INCAR is not read. You can try to re-compile VASP with an extra flag -DVASP2WANNIER90 in the CPP line in the makefile.