Download Quantum Espresso Tutorial Surface PDF Free - Full Version
Download Quantum Espresso Tutorial Surface by ['Ng Wei Jiang'] in PDF format completely FREE. No registration required, no payment needed. Get instant access to this valuable resource on PDFdrive.to!
About Quantum Espresso Tutorial Surface
This document provides instructions for using the Quantum Espresso software to study the adsorption of a CO molecule on a Pt surface. It begins by describing the examples directory included with Quantum Espresso, then outlines the steps to set up and run a calculation of an isolated CO molecule as a tutorial, including defining the input, running the calculation, and analyzing the output. It also briefly explains how to set up and run a geometry optimization calculation to determine the molecule's equilibrium structure.
Detailed Information
| Author: | ['Ng Wei Jiang'] |
|---|---|
| Publication Year: | 2017 |
| Pages: | 15 |
| Language: | English |
| Format: | |
| Price: | FREE |
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