[Wien] problem with total energy

[Dong YuHui]

Dear Wien users,

I am calculating the total energy of HgS and find something strange, maybe 
my mistakes but I can not find where.

The total energies of Hg and S calculated from lstart are -39324.308686Ry 
and -798.160236Ry. Since there are 3 HgS in a cell, then the total value 
should be -120367.406766. However the total energy after scf is 
-120367.344874Ry, higher than the total energy of individual atoms.

Is anybody could tell me what is the problem? Thanks a lot.

Yuhui Dong