[Pw_forum] Band structure calculation using Quantum ESPRESSO

[Axel Kohlmeyer]

On Aug 9, 2015 11:57 PM, "sapna bondwal" <sapna.9305bondwal at gmail.com>
wrote:
>
> Dear all,
>
> I want to know the steps involved in the band structure calculation of
small molecule, say SiH4 using QE. What are are the concerned executables?
In which order they must be used to get a clear picture of the electronic
structure and band gap.Please give some small example exercise to practice
the step by step use of executables correctly.

How should that be possible, when small molecules have no bands?

Axel
>
> Thank you in advance.
>
> --
>
> Sapna Bondwal
> Research Scholar
> IIT ROORKEE
>
>
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