[DFTB-Plus-User] How to get the LUMO and HOMO for carbon nanotube?

[Ben Hourahine]

Or is the question how to plot these? If so look at the waveplot 
documentation.
As Bálint says, the HOMO and LUMO levels are where the filling in band.out
changes from 1 to 0 (the system must have a band gap).

Regards

Ben

On 17/12/12 11:56, Bálint Aradi wrote:
> On 12/17/2012 10:21 AM, 张超 wrote:
>> Dear all,
>>   How to get the LUMO and HOMO for carbon nanotube? According to the PlottedLevels?
>> Thank you!
>   You look aat the occupations in band.out.
>
>    Best regards,
>
>    Bálint
>

-- 
       Dr. B. Hourahine, SUPA, Department of Physics,
     University of Strathclyde, John Anderson Building,
             107 Rottenrow, Glasgow G4 0NG, UK.
     +44 141 548 2325, benjamin.hourahine at strath.ac.uk

   Strathclyde 2012 THE Awards UK University of the Year

    The University of Strathclyde is a charitable body,
         registered in Scotland, number SC015263