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About VASP Tutorial: A Bit of Surface Science
The document discusses setting up and running a calculation using the VASP (Vienna Ab initio Simulation Package) software. It describes the four main input files needed - INCAR, POSCAR, KPOINTS, and POTCAR. It then gives an example calculation of relaxing the surface of a Ni(100) crystal, specifying the settings and parameters in each input file to perform this relaxation simulation and analyze the results.
Detailed Information
| Author: | ['cuong nguyen quang'] |
|---|---|
| Publication Year: | 2021 |
| Pages: | 42 |
| Language: | English |
| Format: | |
| Price: | FREE |
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