Hands-on Tutorial on Electronic Structure Computations

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Contribution List

Displaying 22 contributions out of 22

Car-Parrinello MD

Session: Car-Parrinello MD

Car-Parrinello MD

Session: Car-Parrinello MD

Closing Session

Session: Closing Session

GW + BSE

Session: GW + BSE

GW + BSE

Session: GW + BSE

GW + BSE

Session: GW + BSE

GW + BSE

Session: GW + BSE

Installation, parallelization, ground-state computations

Session: Installation, parallelization, ground-state computations

- 2221_5.pdf

Installation, parallelization, ground-state computations

Session: Installation, parallelization, ground-state computations

- Installation_1.zip

NMR and EPR computations

Session: NMR and EPR computations

- 2221_2.pdf

NMR and EPR computations

Session: NMR and EPR computations

- 2221_4.pdf

NMR and EPR computations

Session: NMR and EPR computations

- 2221_3.pdf

NMR and EPR computations

Session: NMR and EPR computations

Phonons

Session: Phonons

- Phonons.zip

Phonons

Session: Phonons

Time-dependent DFT

Session: Time-dependent DFT

- 2221_1.pdf

Time-dependent DFT

Session: Time-dependent DFT

Transport with Wannier functions

Session: Transport with Wannier functions

- 2221_6.pdf

Transport with Wannier functions

Session: Transport with Wannier functions

Welcome and general comments about QE

Session: Welcome and general comments about QE

X-ray absorption

Session: X-ray absorption

- 2221_7.pdf

X-ray absorption

Session: X-ray absorption

Organizers

Directors: Shobhana Narasimhan, R. Gebauer Local Organiser: R. Gebauer