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Displaying 11 speakers out of 11
ANDREA DAL CORSO
Energy bands for elemental and binary semiconductor from the empirical pseudo-potential method
Calculation of the total energy and of its first derivatives (atomic forces)
Calculation of phonon frequencies by DFPT
Non-local pseudopotentials. Notions of ultra-soft pseudo-potentials
ANTON KOKALJ
Elements of computer graphics and tutoring on the XCRYSDEN graphical package
Hands-on tutoring on the PWSCF package: post-processing and visualization. Electronic bands and states, electron charge densities, (local and/or projected) densities of states, STM images etc
CARLO CAVAZZONI
Advanced programming techniques - I
Advanced programming tecniques - II
CLAUDIA BUNGARO
Hands-on tutoring on the PWSCF package: calculation of phonon frequencies and other second derivatives of the total energies
GIORGIO PASTORE
Ab-initio molecular dynamics: the Car-Parrinello Lagrangian
Car-Parrinello ab-initio molecular dynamics
MARCO A. SAITTA
Hands-on tutoring on the PWSCF package: structural optimization
NICOLA MARZARI
hands-on tutoring on the PWSCF package: ab-initio molecular dynamics (fixed and variable cell)
PAOLO GIANNOZZI
The plane-wave pseudo-potential method
The plane-wave pseudo-potential method - I
Spectral methods for convolutions and partial differential equations
Hands-on tutoring on the PWSCF package: introduction and installation
STEFANO BARONI
Primer of electronic-structure theory - I
Primer of electronic-structure theory - II
Energy bands for free electrons
Numerical Linear Algebra - II: iterative methods
Electronic states of very large systems from iterative diagonalization or from direct systems from iterative diagonalization or from direct solution of the Ritz variational principle
STEFANO DE GIRONCOLI
DFT, KS equations, XC functionals, SCF vs. minimization approach to the non-linear Schrodinger equation
Special points and smearing techniques for Brillouin zone integration
Calculation of the electron charge density in insulating crystals. Calculation of the Hartree and XC potentials. Iterative solution of SCF equations
Electronic polarizability, vibartional frequencies, and other second derivatives of the energy from Density Functional Perturbation Theory (DFPT)
Hands-on tutoring on the PWSCF package: SCF and energy-vs.-volume calculations for simple elementary and binary semiconductors and metals
STEFANO FABRIS
Numerical Linear Algebra - I: factorization methods
Calculation of the total energy and of its first derivatives (atomic forces). Calculation of vibrational frequencies by the frozen-phonon method
Geometry optimization and molecular dynamics with ab-initio forces

Organizers

S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi