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Up: OPTIC (calculating optical properties)
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Input
An example is given below:
---------------- top of file: case.inop --------------------
256 1 : NKMAX, NKFIRST
-5.0 2.0 : EMIN, EMAX
2 : number of choices (columns in *outmat)
1 : Re xx
3 : Re zz
------------------- bottom of file -------------------------
Interpretive comments on this file are as follows:
- line 1:
- free format
nkmax, nkfirst maximal number of k-points , number of
k-point to start calculation
- line 2:
- free format
emin, emax absolute energy range (Ry) for which matrix
elements should be calculated
- line 3:
- free format
ncol number of choices (columns in case.outmat)
- line 4+:
- free format
icol column to select. Choices are:
1 ...Re <x><x>
2 ...Re <y><y>
3 ...Re <z><z>
4 ...Re <x><y>
5 ...Re <x><z>
6 ...Re <y><z>
7 ...Im <x><y>
8 ...Im <x><z>
9 ...Im <y><z>
end:optic
begin:joint
2000-04-11