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Re: Re: [abinit-forum] how to calculate a few bands at the vicinity of fermi level?
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- From: shinekin@hotmail.com
- To: forum@abinit.org
- Subject: Re: Re: [abinit-forum] how to calculate a few bands at the vicinity of fermi level?
- Date: Fri, 19 Oct 2007 08:17:54 +0200
hi Lan,
thanks for your reply, but i just want to know how to calculate the bands
within 1 or 2 eV around the fermi level, i mean that other band could be
neglect.
certainly 'nband' can specify the numbers of bands i want to calculate,but i
found that abinit generates eigenvalues in a order from the low to high enery
according to the corresponding valence states. for instance, if the valence
states that abinit considers is 2d3s3p and the 'naband' was set to be 1,then
just 1 band of 2d state will be calculated because of the 2d state locates at
the lowest energy, in my question, how to set parameters so that abinit can
just calculates the band which locates at the higher energy levels in a
single band structure calculation?
Regards
Shinekin
- Re: Re: [abinit-forum] how to calculate a few bands at the vicinity of fermi level?, shinekin, 10/19/2007
- Re: Re: [abinit-forum] how to calculate a few bands at the vicinity of fermi level?, lan haiping, 10/19/2007
- Re: Re: [abinit-forum] how to calculate a few bands at the vicinity of fermi level?, 张�s, 10/20/2007
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