[Pw_forum] negative a2f(w) DOS
Peng Tao
ptao10b at imr.ac.cn
Mon Aug 6 09:44:36 CEST 2012
Dear all,
I get the negative a2f(w) in the file "a2F.dos*" when run the example07. Is it a sign of not convergence? Thank you very much!
Here is part of the output file a2F.dos1:
0.000031 -0.00000283 -0.00000137 -0.00000141 -0.00000005
0.000093 -0.00007635 -0.00003688 -0.00003813 -0.00000134
0.000155 -0.00035348 -0.00017074 -0.00017654 -0.00000620
0.000217 -0.00096995 -0.00046851 -0.00048442 -0.00001702
0.000279 -0.00206149 -0.00099575 -0.00102958 -0.00003617
0.000341 -0.00376384 -0.00181802 -0.00187979 -0.00006603
0.000403 -0.00621274 -0.00300090 -0.00310285 -0.00010899
0.000465 -0.04893506 -0.02435778 -0.02440985 -0.00016744
0.000527 -0.02731389 -0.01349134 -0.01357881 -0.00024374
0.000589 -0.03395255 -0.01641623 -0.01719604 -0.00034028
0.000651 -0.04039925 -0.01901221 -0.02092760 -0.00045944
0.000713 -0.04639784 -0.02108392 -0.02471030 -0.00060361
Best wishes,
Peng Tao
--
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PH.D. candidate Peng Tao
Magnetism and Magnetic Materials Division
National Laboratory for Material Science
Institute of Metal Research, Chinese Academy of Sciences
Phone +86-024-83978751
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