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
...
Error message full of the screen!
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zhuanghl
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Error message full of the screen!
Last edited by zhuanghl on Thu Feb 23, 2006 11:11 am, edited 1 time in total.
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admin
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Error message full of the screen!
there are many possible reasons (probably you should reduce mixing) for this error. please check previous forum postings
Last edited by admin on Fri Feb 24, 2006 12:37 pm, edited 1 time in total.