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Originally posted by Сľ³æÓÚ at 2010-05-30 12:23:54:
ÎÒµÄvasp°æ±¾ÊÇ5.2 ϵͳÊÇRedHat enterprise 5£¬Fortran compilerÊÇIntelµÄ11.1 c compilerÊÇgcc   ÎÒÏëÖªµÀÈç¹ûÊǼÆËãÖгöÏÖ´íÎó»áÊÇÊ²Ã´ÄØ£¿Ð¾ɵçºÉ²»Í¬ÊÇ·ñÊDZàÒëʱ²ÎÊýûµ÷ºÃÕճɵģ¿
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http://muchong.com/bbs/viewthread.php?tid=2098078&fpage=1
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http://cms.mpi.univie.ac.at/vasp-forum/forum_viewtopic.php?3.416
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the reason for this error message (DENTET) is that the Fermi level
cannot be determined accurately enough by the tetrahedron method (i.e, the integrated DOS stays different from the number of valence electrons)
please try (one of) the following:
--choose a different BZ integration scheme (ISMEAR)
--if you want or have to keep the tetrahedron integration,
-- increase the number of k-points (mind that Gamma has to be included in the k-mesh)
-- increase NEDOS
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