Could anyone give me a step by step guide to using VASP for DFT calculations?

  • Context: Undergrad 
  • Thread starter Thread starter ramana3797
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Discussion Overview

The discussion centers around seeking guidance on using VASP (Vienna Ab initio Simulation Package) for Density Functional Theory (DFT) calculations. Participants express difficulties in finding a clear and consistent workflow from existing resources.

Discussion Character

  • Homework-related, Meta-discussion

Main Points Raised

  • One participant requests a step-by-step guide for using VASP for DFT calculations, noting that existing resources are often contradictory and not easy to understand.
  • Another participant provides definitions for VASP and DFT, clarifying the terms for the discussion.
  • Some participants express uncertainty about the meaning of VASP, with one guessing it might relate to Discrete Fourier Transform.
  • A link to a Wikipedia page about VASP is shared, possibly as a resource for clarification.

Areas of Agreement / Disagreement

There is no consensus on a clear workflow for using VASP, and multiple participants express confusion about the terminology and available resources.

Contextual Notes

Participants have not reached a resolution regarding the best approach to learning VASP, and there are indications of varying levels of understanding of the software and its applications.

ramana3797
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could anyone give me a step by step guide to using VASP for DFT calculations. I have tried using vaspwiki and other online resources but they don't give an easy to understand workflow and are sometimes contradictory.
 
Last edited:
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VASP = Vienna Ab initio Simulation Package.
DFT = Density Functional Theory.
 
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Baluncore said:
VASP = Vienna Ab initio Simulation Package.
DFT = Density Functional Theory.
Discrete Fourier Transform? ( Guessing, since not sure what 'VASP' means )?
 

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