help

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ahmad
Posts: 9
Joined: Fri Jun 22, 2012 8:03 am

help

Post by ahmad » Tue Jul 10, 2012 4:02 pm

Hello every one
Is there any command to control energy range in DOS related to band structure?
please guide me
With Best Regards
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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: help

Post by jzwanzig » Wed Jul 11, 2012 11:31 am

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).
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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ahmad
Posts: 9
Joined: Fri Jun 22, 2012 8:03 am

Re: help

Post by ahmad » Wed Jul 11, 2012 7:40 pm

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
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