[DFTB-Plus-User] Band Structure Calculation Under Pressure

Pei Wang n8413274 at qut.edu.au
Tue Oct 12 08:21:05 CEST 2021


Dear DFTB+ Users,


I am trying to calculate the band structures of heterostructures under 
hydrostatic compression. Is it possible to add external pressures while 
calculating the electronic properties in DFTB+?


Regards,

Pei Wang



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