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- VASP - Vienna Ab initio Simulation Package
In-person VASP workshop: Introduction to advanced techniques Interested in personal tutoring by VASP developers? Registration for our in-person workshop in Rennes, France! Attend this workshop (June 30 - July 04, 2025) to get a wide-ranging introduction and master the latest features concerning electron-phonon coupling, magnetism, and more
- About - VASP Wiki
In VASP, central quantities, like the one-electron orbitals, the electronic charge density, and the local potential are expressed in plane wave basis sets The interactions between the electrons and ions are described using norm-conserving or ultrasoft pseudopotentials, or the projector-augmented-wave method
- Part 1: Introduction to VASP - VASP Wiki
1 3 1 stdout¶ After you run VASP, the following stdout will be printed to the terminal: running on 2 total cores distrk: each k-point on 2 cores, 1 groups distr: one band on 1 cores, 2 groups vasp 6 3 0 16May21 (build Oct 09 2021 15:55:16) complex POSCAR found : 1 types and 1 ions Reading from existing POTCAR scaLAPACK will be used Reading from existing POTCAR LDA part: xc-table for Pade
- Learn - VASP Wiki
Videos Interested in the underlying theory? Check out the lectures on our YouTube channel
- About - VASP Wiki
About What is VASP and what can I do with it? Get a brief overview of the method and a list of the features
- Part 3: Spin-polarized bulk systems - VASP Wiki
Part 1: Introduction to VASP Part 2: Molecules in VASP Part 3: Water Bulk systems Part 1: Silicon as a typical bulk material Part 2: More silicon Part 3: Spin-polarized bulk systems Part 4: Van der Waals forces Molecular dynamics Part 1: Melting silicon Part 2: Machine learning force fields Machine-learned force fields
- Atoms and Molecules - VASP Wiki
Isolated atoms and molecules are a good starting point to run your first VASP calculation and get familiar with the basic input and output At the beginning of each example, you can see exactly what you will learn and in the end there are a couple of questions to test yourself
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