[Wien] nband_for_case.inhf

[Tarek Hammad]

Dear wien2k team and users

I would like to carry out hf calculations. This implies to construct the 
inhf file. for that, I need to know the number of occupied (partially 
occupied ) bands.

As I read in different sources including UG of wien2k the number of 
occupied bands can be extracted from the occupancy column existed in 
case.scf file as indicated below.

However, I am confused on how can I detect this number, for instance, 
may I just count the number of occupied bands, if so, it should be (11 + 
1) bands.

Otherwise, considering the first column as shown, the number of occupied 
bands could be (184+1) bands !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!.

:BAN00174: 174    0.203210    0.250112  2.00000000
:BAN00175: 175    0.209459    0.251857  2.00000000
:BAN00176: 176    0.212357    0.252078  2.00000000
:BAN00177: 177    0.218086    0.257644  2.00000000
:BAN00178: 178    0.220687    0.261573  2.00000000
:BAN00179: 179    0.238035    0.265948  2.00000000
:BAN00180: 180    0.239720    0.278913  2.00000000
:BAN00181: 181    0.246640    0.284931  2.00000000
:BAN00182: 182    0.253976    0.298402  2.00000000
:BAN00183: 183    0.260600    0.318384  2.00000000
:BAN00184: 184    0.272470    0.324474  2.00000000
:BAN00185: 185    0.409208    0.482180  0.00000000
:BAN00186: 186    0.420900    0.501925  0.00000000
:BAN00187: 187    0.426796    0.504358  0.00000000
:BAN00188: 188    0.436583    0.522202  0.00000000
:BAN00189: 189    0.438990    0.523103  0.00000000

Thanks a lot for your kind help

Kind regards

Tarek Hammad.