KPOINTS: Difference between revisions
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go back to [[Main Page]], [[Group Pages]], [[Núria_López_and_Group]] | go back to [[Main Page]], [[Group Pages]], [[Núria_López_and_Group]] | ||
The k-points concept is explained in '''Density Functional Theory: A Practical Introduction''' by Sholl & Steckel. For a deeper view, please refer to '''Solid State Physics''' by Ashcroft & Mermin. People coming from a Chemistry background can also check '''Solids and Surfaces: A Chemist's View of Bonding in Extended Structures''' by the Nobel prize laureate Roald Hoffmann. | |||
For more information: [[http://cms.mpi.univie.ac.at/vasp/guide/node55.html]] | For more information: [[http://cms.mpi.univie.ac.at/vasp/guide/node55.html]] | ||
To generate automatically the KPOINTS file: [[kpoints.sh]] | To generate automatically the KPOINTS file: [[kpoints.sh]] | ||
Revision as of 15:51, 5 November 2019
go back to Main Page, Group Pages, Núria_López_and_Group
The k-points concept is explained in Density Functional Theory: A Practical Introduction by Sholl & Steckel. For a deeper view, please refer to Solid State Physics by Ashcroft & Mermin. People coming from a Chemistry background can also check Solids and Surfaces: A Chemist's View of Bonding in Extended Structures by the Nobel prize laureate Roald Hoffmann.
For more information: [[1]]
To generate automatically the KPOINTS file: kpoints.sh