LWANNIER90: Difference between revisions
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-DVASP2WANNIER90 | -DVASP2WANNIER90 | ||
and | and the variable <tt>LIB</tt> in the [[Installing VASP|makefile]] must contain an entry that points to <tt>libwannier.a</tt>. | ||
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 == | == Related Tags and Sections == | ||
Revision as of 10:56, 5 April 2011
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