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
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to