[Wien] partial DOS and total DOS

[Shu Miao]

Dear Wien users,
I entountered a problem in matching the partial DOS of each atom to the
total DOS of the material. The material contains only Mg (atom1,
multiplicity=2) and Si (atom2, multiplicity=1). I calculated the total,
Mg-s,p and Si-s,p density of states.
However, problem occured when I compared the total DOS with the sum of
weighted atomic partial DOS.

case.int
ATOM  1  tot,0,1,2,D-eg,D-t2g,3
ATOM  2  tot,0,1,2,D-eg,D-t2g,3
********************
-0.50 0.002 1.500 0.003   EMIN, DE, EMAX, Gauss-broadening(>;de)
    5                      NUMBER OF DOS-CASES specified below
    0    1   total         atom, case=column in qtl-header, label
    1    2   Mg s
    1    3   Mg p
    2    2   Si s
    2    3   Si p
*******************

part of case.dos1ev
*********************
energy       total         Mg-s            Mg-p         Si-s          Si-p
-1.98277    2.00534225    0.05024105    0.14825624    0.02962027    0.60823357
-1.95556    2.06442499    0.04905552    0.15406883    0.02914895    0.63181162
-1.92835    2.02583766    0.04778546    0.15044349    0.02866209    0.62284130
-1.90114    1.98196876    0.04653511    0.14624690    0.02820274    0.61220896
-1.87393    1.99044991    0.04536311    0.14697947    0.02777631    0.61907011
*********************

As you can see, the sum (column3+column4)*2+(column5+column6) is not equal
to column2. Column2 is the total DOS (inside sphere+instital). Does the
partial DOS for s or p also include the corresponding interstital states?
If it does not, where can I get those interstial states and add them to
match the total. If it does, what are the possible mistakes which can
cause the mismatch? I it contains the interstitial states since the
userguide says just summing ove them with consideration of multiplicity.


Many thanks

Shu Miao