Bandstructure of SrVO3 in GW

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Description: the GW bandstructure of SrVO3 using VASP and WANNIER90.


Performing a GW calculation with VASP is a 3-step procedure: a DFT groundstate calculation, a calculation to obtain a number of virtual orbitals, and the actual GW calculation itself. In this example

The DFT groundstate calculation

Analysis of the DOS

Bandstructure using WANNIER90

Obtain DFT virtual orbitals

The GW calculation

Analysis of the DOS

Bandstructure using WANNIER90

Download


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