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Ab initio Calculations Using Q-Espresso Code

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Tutorials on QUANTUM ESPRESSO ( Edi Suprayoga)

 

QE part 1 Introduction

 QE part 2 Installation (Ubuntu)

QE part 3 Crystal Structure

QE part 4 Input Parameter

QE part 5 SCF Calculation

QE part 6 Convergency

QE part 7 vc-relax

QE part 8 Charge Density

QE part 9 DOS


QE part 10 Band Structure


QE part 11 Phonon

QE part 12 BoltzTraP


 

 

 

 


 
 




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