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- From: shinekin <shinekin@hotmail.com>
- To: "forum@abinit.org" <forum@abinit.org>
- Subject: about dos and integrated dos
- Date: Tue, 9 Oct 2007 14:42:28 +0800
- Importance: Normal
Hi, all, The corresponding DOS and integrated DOS have been generated after the claculation of total DOS, but i just little bit more confused about the result, the numeric values of DOS is very large while the intergrated DOS is reasonable. To my way of thinking, the DOS shows the numbers of states which can be occupied by the electrons along the engery axis, so the integral value of DOS should equal to the number of valence electrons for a given model when the integral interval was set between the bottom of valance-band and the zero engrgy (fermi energy) , obviously this is impossible base on the data of DOS generated by abinit, the integral value is much larger than integrated DOS....... how does this DOS generated? Thanks in advance. Regards Shinekin 不登录就能管理多个邮件帐户,试试 Windows Live Mail。 立即尝试! |
- about dos and integrated dos, shinekin, 10/09/2007
- Re: [abinit-forum] about dos and integrated dos, Matthieu Verstraete, 10/09/2007
- Problem in prtdos = 3, PGanesh, 10/09/2007
- Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/09/2007
- Re: [abinit-forum] Problem in prtdos = 3, PGanesh, 10/09/2007
- Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/10/2007
- Re: [abinit-forum] Problem in prtdos = 3, Takeshi Nishimatsu, 10/10/2007
- how to input hexagonal lattices, jian sun, 10/10/2007
- Re: [abinit-forum] how to input hexagonal lattices, Xavier Gonze, 10/10/2007
- RE: [abinit-forum] how to input hexagonal lattices, jian sun, 10/10/2007
- Re: [abinit-forum] Problem in prtdos = 3, Takeshi Nishimatsu, 10/10/2007
- Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/10/2007
- Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/10/2007
- Re: [abinit-forum] Problem in prtdos = 3, PGanesh, 10/09/2007
- Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/09/2007
- Problem in prtdos = 3, PGanesh, 10/09/2007
- Re: [abinit-forum] about dos and integrated dos, Matthieu Verstraete, 10/09/2007
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