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[ÇóÖú] projected dos ºÍpartial dos Ê²Ã´Çø±ð

¿´ÎÄÏ×ÖÐÓеÄͼ±ê×¢projected dos Óеıê×¢ partial dos ÕâÁ½Õßµ½µ× Ê²Ã´Çø±ð£¿£¿
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purplesdd: ½ð±Ò+5, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, °æÖ÷Ëû˧ÁË 2013-10-17 17:42:37
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3Â¥2013-10-17 12:35:53
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identation: ½ð±Ò+2, лл½»Á÷ 2013-10-17 12:35:20
I personnally think projected dos is projecting the DOS on each site, however, partial dos is the dos for s, p, d, f.... orbitals. I am not exactly sure.
doingwhatishoulddo!
2Â¥2013-10-17 01:31:13
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purplesdd

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ÒýÓûØÌû:
3Â¥: Originally posted by identation at 2013-10-17 12:35:53
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4Â¥2013-10-17 17:39:02
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purplesdd

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by identation at 2013-10-17 12:35:53
ûʲô´óµÄ²î±ð¡£Äã¶¼¿ÉÒÔÀí½â³ÉPDOS£¬¶øÇÒÕâ¶¼ÊÇ×ÖÑÛÉϵÄÊ£¬Ôõô˵¹ØÏµ²»´ó

ÔÙÎÊһϣ¬ÄǾÍÊÇprojected dosºÍpartial dosÇó·¨Ò²ÊÇÒ»ÑùµÄÁË£¿ÎÒÓÖ¿´µ½Çó̼ԭ×Ópx,py,pzµÄdos£¬Õâ¸öÊÇÔõôÇóµÄÄØ£¿
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5Â¥2013-10-17 17:42:17
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