## Tutorial on DFT+U+V using Quantum ESPRESSO (v6.7)

#### Tutorial on DFT+U+V using Quantum ESPRESSO (v6.7)

This DFT+U+V tutorial was presented by Dr. Iurii Timrov (EPFL, Switzerland) at the e-School "DFT and Models 2021" ...

#### Intro to Quantum Espresso

An introduction to using Quantum Espresso for calculating ground state energies of crystalline atoms. Quantum - Espresso : ...

#### QE-1 Quantum ESPRESSO Installation in Windows 10

#### Dos and Band structure calcualtion with quantum espresso on windows

Quantum espresso is and open source simulation code. it is available for linux, windows and mac system. the calculation in the ...

#### Plotting Molecular Orbitals with Quantum ESPRESSO [TUTORIAL]

In this tutorial I describe the procedure to plot the Molecular Orbitals of a molecule or a crystal structure using the pp.x utility of ...

#### BANDSTRUCTURE CALCULATION using BURAI (GUI for Quantum Espresso) [TUTORIAL #5]

A detailed tutorial on how to run a Bandstructure calculation using BURAI, a GUI for Quantum ESPRESSo . I demonstrate the ...

#### BandUP (PWscf, unfolding, step1)

BandUP 0) cd $HOME/band_unfolding-master/tutorial/Quantum_ESPRESSO/ cd upf_files (put pseudopotentials in upf_files) cd .

#### BURAI a GUI for Quantum ESPRESSO INTRODUCTION -[Tutorial #1]

In this video I introduce you to a GUI for Quantum ESPRESSO (a DFT package). The software is called BURAI v 1.3. Download: ...

#### QE part 12 BoltzTraP

Tutorial Quantum Espresso Indonesia Part 12 BoltzTraP Slide : https://bit.ly/2VibSRo Input File : https://bit.ly/3eB1afW.

#### Optical properties calculation with Quantum ESPRESSO: JDOS, dielectric function and theoretical EELS

In this video tutorial I have shown how to calculate optical properties of a 2D material (MoS2) with Quantum ESPRESSO .

#### Graphene Bandstructure and DOS Calculation with Quantum ESPRESSO and BURAI GUI

In this introductory video lecture on modelling of 2D materials I have shown the example of calculation of bandstructure and DOS ...

#### Creating vdW heterostructures and heterojunctions with VESTA and BURAI GUI for Quantum ESPRESSO

In this tutorial I have shown how you can create a MoS2-WS2 vdWh and also a planar heterostructure for calculations. Speaker: ...

#### SCF Calculations using BURAI (GUI for Quantum ESPRESSO) - [TUTORIAL #4]

A detailed tutorial where I show how to perform an SCF calculation using BURAI, a GUI for Quantum ESPRESSO . I discuss ...

#### Burai 1.3 CIF to Quantum Expresso Input File

#### PlotPhon (compiling) (PWscf)

PlotPhon compiling 1. cd $HOME/q-e-qe-6.3/PlotPhon 2. Compile.

#### Calculating DOS and BANDS sctructure using Quantum ESPRESSO

This is an implementation of DFT with Generalized Gradient Approximation. Time taken in calculations depend on the crystal ...

#### MaX School on Advanced Materials and Molecular Modelling with Quantum ESPRESSO - Day 2 - Session 1

Charge densities and potentials. Systems in 0-1-2-3D. Metals vs. insulators. Non-magnetic vs. magnetic systems Speaker: Paolo ...

#### MaX School on Advanced Materials and Molecular Modelling with Quantum ESPRESSO-Day 6 Afternoon

The school will introduce students and young researchers to materials and molecular modelling with Quantum ESPRESSO (QE), ...

#### DFT calculation on a MOLECULE/ NANOCLUSTER using Quantum ESPRESSO (periodic DFT code) [TUTORIAL]

In this tutorial I show you guys how to run a DFT-SCF calculation or Geometry optimization for an isolated nanocluster or molecule ...

#### PWscf (generate TM 1s hole pseudopotential with atomic, outline)

xspectra. upf2plotcore.sh is limited old output (UPF v1 or UPF v2). ---------- &input title='Co h', zed=27., rel=1, config='1s1 2s2 2p6 ...