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help
Posted: Tue Jul 10, 2012 4:02 pm
by ahmad
Hello every one
Is there any command to control energy range in DOS related to band structure?
please guide me
With Best Regards
Re: help
Posted: Wed Jul 11, 2012 11:31 am
by jzwanzig
See documentation for input variables prtdos, dosdeltae. The highest meaningful energy will be I suppose determined by whatever you set nband to (nband is the total number of bands computed, and includes both valence and conduction bands).
Re: help
Posted: Wed Jul 11, 2012 7:40 pm
by ahmad
jzwanzig wrote:See documentation for input variables prtdos, dosdeltae. The highest meaningful energy will be I suppose determined by whatever you set nband to (nband is the total number of bands computed, and includes both valence and conduction bands).
thanks alot professor