LWANNIER90

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Revision as of 10:56, 5 April 2011 by Mmars (talk | contribs)

LWANNIER90 = .TRUE. | .FALSE.
Default: LWANNIER90 = .FALSE. 

Description: LWANNIER90=.TRUE. switches on the interface between VASP and WANNIER90.


For LWANNIER90=.TRUE., VASP will run wannier_setup in library mode (see Chapter 6 of the WANNIER90 manual).


Mind: VASP needs to be compiled with the following additional precompiler flag:

-DVASP2WANNIER90

and the variable LIB in the makefile must contain an entry that points to libwannier.a.

For instance:

LIB     = -L../vasp.5.lib -ldmy  \
     ../vasp.5.lib/linpack_double.o $(SCA) $(LAPACK) $(BLAS)

might be changed to

LIB     = -L../vasp.5.lib -ldmy  \
     ../vasp.5.lib/linpack_double.o ../wannier90-1.2/libwannier.a $(SCA) $(LAPACK) $(BLAS)

depending on where you have installed WANNIER90, obviously.


Related Tags and Sections

LWANNIER90_RUN, Compiling VASP


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