[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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