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Execution
The program optic is executed by invoking the command:
optic(c) optic.def or x optic [-c -up|dn -so]
Recommended procedure for spin-orbit coupling:
In order to get the correct matrix elements, the files
case.vectorso[up|dn] have to be used. For that purpose the
following procedure is recommended:
- run SCF cycle: run[sp]_lapw -so
- generate a fine k-mesh for the optics part: x kgen
- change TOT to FERMIN in case.in2c
- run lapw1, lapwso, and filelapw2 with this mesh:
run[sp]_lapw -so -s lapw1 -e lcore
- run optic: x opticc -so [-up]
- run joint: x joint -so [-up]
- run kram: x kram -so [-up]
Note: Also in the spin-polarized case only one call to
optic, joint and/or kram (either up or down) is
necessary, since the spins are not independent any more and both
vector-files are used at the same time.
2000-04-11