[Wien] hybridization

[Oliver Albertini]

Thank you for the suggestions. 

I ran this command:
 Oct 31 06:51:58 PDT 2014> (x) lapw2 -up -p -alm -all .0155 .078
 Oct 31 06:52:39 PDT 2014> (x) lapw2 -dn -p -alm -all .0155 .078

which gave me some case.almblmup/dn files. However, the numbering of the atoms
doesn't seem right, for instance:

grep jatom *.alm*up*1
2 527 533  jatom,nemin,nemax
1 526 534  jatom,nemin,nemax
7 526 534  jatom,nemin,nemax
1 526 533  jatom,nemin,nemax
1 526 532  jatom,nemin,nemax
1 524 531  jatom,nemin,nemax
1 525 531  jatom,nemin,nemax
1 525 530  jatom,nemin,nemax
9 527 533  jatom,nemin,nemax
9 526 534  jatom,nemin,nemax
9 526 533  jatom,nemin,nemax
9 526 532  jatom,nemin,nemax
9 524 531  jatom,nemin,nemax
9 525 531  jatom,nemin,nemax
9 525 530  jatom,nemin,nemax
14 525 530  jatom,nemin,nemax
10 525 530  jatom,nemin,nemax

I have 16 atoms in this cell. I also
tried this without -all switch, but I still have the same confusing
numbering. 

-- 
Sincerely, 

Oliver Albertini