Bandstructure of SrVO3 in GW: Difference between revisions
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Description: the GW bandstructure of SrVO<sub>3</sub> using VASP and [http://www.wannier.org WANNIER90]. | |||
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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 == | == The DFT groundstate calculation == | ||
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=== Bandstructure using WANNIER90 === | === Bandstructure using WANNIER90 === | ||
== Download == | |||
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[[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]] | |||
[[Category:Examples]] | |||
Revision as of 18:05, 11 September 2012
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
To the list of examples or to the main page