Efficient materials modelling on HPC with Quantum ESPRESSO, Siesta and Yambo Logo

Days 1 and 2 - Quantum ESPRESSO

  • Day 1: Quantum ESPRESSO I
  • Day 2: Quantum ESPRESSO II
    • Lectures

Days 3 and 4 - Siesta

  • SIESTA setup
  • Day 3: SIESTA I
  • Day 4: SIESTA II

Day 5 - Yambo

  • Yambo tutorial: Quasiparticles in the GW approximation

Reference

  • Quick Reference
  • Instructor’s guide

About

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  • ENCCS
Efficient materials modelling on HPC with Quantum ESPRESSO, Siesta and Yambo
  • Day 2: Quantum ESPRESSO II
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Day 2: Quantum ESPRESSO II

Lectures

Introduction to Density Functional Perturbation Theory

Introduction to Time Dependent Density Functional Perturbation Theory

Phonons for HPC and GPUs

TDDFPT for HPC and GPUs

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