How to convert a cif file into Quantum ESPRESSO input file (.in)?

Muhammed Arshad @Muhammed_Arshad2

02 February 2017 1 3K Report

how to generate a Quantum ESPRESSO input file from a cif file for band structure calculation

Muhammed Arshad

we can use "CIF2CELL" A tool to generate the geometrical setup for various electronic

structure codes from a CIF (Crystallographic Information

Framework) file

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