[Wien] case.inop output issue
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Sun Nov 20 20:37:45 CET 2016
Dear Users,
I am running an orthorhombic case (a, b and c are different)
I used the following case.inop
99999 1 number of k-points, first k-point
-5.0 3.0 9999 Emin, Emax for matrix elements, NBvalMAX
3 number of choices (columns in *outmat): 2: hex or tetrag. case
1 Re xx
2 Re yy
3 Re zz
OFF ON/OFF writes MME to unit 4
Choices:
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>
But in the output of case.inop (in other also) I am getting only four
columns two for xx and two for yy components (Re and Img).
# Energy [eV] Re_eps_xx Im_eps_xx Re_eps_yy Im_eps_yy
What is wrong here??
Sincerely
Bhamu
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