path/to/mstar/mstar case.mommat2 # if you use this GitHub version and WIEN2k (see the compatibility note above) X mstar # if you use the version built into WIEN2k starting with v20.1 Tips on how to do this can be found at this Wiki page. To compile, simply executeįirst, you need to perform a standard SCF (self-consistent field) calculation and generate a file that contains optical matrix elements ( case.mommat2 in WIEN2k or WAVEDER in VASP). ![]() (To compile with gfortran you need to uncoment corresponding FC, FCFLAGS, and FLFLAGS variables in the makefile). ![]() The makefile is set up for Intel Fortran compiler ifort and Intel MKL. ! WIEN2k after May 2020 (the case.mommat2 file is not a fixed format)
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