Author Topic: script for the bandgap calculation  (Read 2886 times)

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Offline rvgr

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script for the bandgap calculation
« on: December 7, 2014, 19:32 »
i want to calculate band gap of graphene how it can possible?
send me any e.g how to edit script?

Offline Umberto Martinez

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Re: script for the bandgap calculation
« Reply #1 on: December 8, 2014, 09:43 »
Check Bandstructure in Reference Manual http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.bandstructure.html you can also use
Code
bandstructure._indirectBandGap().inUnitsOf(eV)
or
Code
bandstructure._directBandGap().inUnitsOf(eV)

Offline rvgr

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Re: script for the bandgap calculation
« Reply #2 on: December 10, 2014, 08:04 »
thank you very much.....