Lectures

2^nd Vlab Tutorial
Kavli Institute for Theoretical Physics
UC-Santa Barbara
July 28 - August 1, 2008
Organizers: Renata Wentzcovitch and Stefano de Gironcolii

(07/28) Monday 8:45 am

Dahlke Fundamentals of density functional theory; Hartree-Fock theory

(07/28) Monday 10:45 am

Dahlke Exchange correlation functionals

(07/28) Monday 1:15 pm

de Gironcoli Van der Waals interaction

(07/28) Monday 2:15 pm

Wentzcovitch Plane-wave pseudopotential calculations

(07/28) Monday 3:30 pm

Cococcioni LSDA and LSDA+U

(07/29) Tuesday 8:30 am

Kokalj and de Gironcoli PWScF installation and hands-on examples

(07/29) Tuesday 10:45 am

Kokalj Post-processing, pwgui, xcrysden ...

(07/29) Tuesday 1:15 pm

Cococcioni and Kokalj PWScf examples including LDA+U

(07/29) Tuesday 3:30 pm

Cococcioni and Kokalj PWScf examples including LDA+U [contd..]

(07/30) Wednesday 8:30 am

de Gironcoli and Kokalj Density functional perturbation theory and phonons; Phonon hands-on examples

(07/30) Wednesday 10:45 am

de Gironcoli and Kokalj Phonon hands-on examples

(07/30) Wednesday 1:15 pm

Wentzcovitch Quasiharmonic approximation; Influence of exchange Correlation functional on structural properties and phase boundaries

(07/30) Wednesday 2:45 pm

de Gironcoli and Kokalj More phonon hands-on examples

(07/31) Thursday 8:30 am

da Silva Vlab cyberinfrastructure

(07/31) Thursday 9:30 am

da Silva, da Silveira, Wentzcovitch VLab demo

(07/31) Thursday 10:30 am

da Silva and da Silveira Vlab hands-on practice

(07/31) Thursday 1:15 pm

Karki, Winkler, and Kokalj Research presentations and discussion by tutorial participants

(08/01) Friday 8:30 am

Umemoto, Wu Research presentations

(08/01) Friday 10:30 am

da Silva and da Silveira Vlab hands-on practice

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