My Community

I don't know how to avoid the message below.Could someone tell me so.Many thanks!


the old and the new charge density differ
old charge density: 180.06988 new 180.11238
0.159E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.81410046199963D-006
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.03917111132559D-006
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.44415065824713D-006
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.69275061119444D-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
...

there are many possible reasons (probably you should reduce mixing) for this error. please check previous forum postings