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uuv2010(½ð±Ò+1): ¶àлÌáʾ! 2011-09-24 23:02:52
det_love(½ð±Ò+5): лл£¡Èç¹ûÎÒ×öµç×ӽṹ·ÖÎö£¬ÊÇÖ±½Ó°Ñd¹ìµÀÂ˵ô»¹ÊǼÓÒÔ˵Ã÷¡£ 2011-09-25 15:57:59
4.11 I have performed a calculation for a system which definitely doesn't have d, f,... electrons whereas there are blocks of DOS corresponding to such electrons in the PDOS file. Is that normal?
Yes. This is because in a solid spherical symmetry is lost and the wave functions have non-zero coefficients for all angular momenta.
2Â¥2011-09-24 19:46:52
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