[Wien] MAE

[Ирина Шихман]

Dear Dr.Blaha and WIEN2K users,

May be, I have to specify my actions step by step.

1) After init.calc. I made case.inorb file with external field

3 2 0
BROYD 0.3
2 1 2
3 1 2
9.
0. 0. 1.


2) Then I ran single program called "orb"

3) After that, I ran SCF calculations

I think, that result of this calculations is in the SCF files. So I
analysed SCF-files and I saw that total Energy almost the same as one
in my previous calculations without external field.

I'll be very pleased if anyone would tell me, what was wrong in my actions.

Best regards,
Irina