[Pw_forum] MoS2 valence bands

Gautam Gaddemane gautamg88 at gmail.com
Sun Feb 25 23:58:30 CET 2018


Thank you Sir.

Gautam

GAUTAM GADDEMANE
DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING
UNIVERSITY OF TEXAS AT DALLAS

On Sun, Feb 25, 2018 at 2:44 AM, Lorenzo Paulatto <paulatz at gmail.com> wrote:

>  > Is it something I am assuming wrong ?
>
> Dear Gautam,
> if you treat the material as a metal (i.e. if you set a smearing) than
> some conduction bands will be included in the calculation. Kind regards
>
> > Kindly let me know.
> >
> > thank you
> > Gautam
> >
> >
> >
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> >
>
> --
> Lorenzo Paulatto - Paris
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