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Introduction

This guide gives a brief overview of the THERMO_PW package. It gives you the minimum information needed to accomplish a given task. It assumes that you have already downloaded and compiled QUANTUM ESPRESSO and THERMO_PW and you want to calculate some material property but you do not know where to start. The most complete reference for the use of THERMO_PW is its user's guide. However the capabilities of the code are rapidly expanding and the user's guide is getting long so, if you do not want to read it entirely, here you find where to search the relevant information. There might be some limitations on the type of functionals that you can use or the electronic structure scheme available to compute a given quantity. Please refer to the QUANTUM ESPRESSO documentation for this.



Subsections

2024-09-24