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Components

We present in this page the different components (executables and flavors) comprised within the VASP distribution package.

Only those components implemented on our platform to date are mentioned here, as can be inspected from the lists of available executables and flavors under the Unit Editor Interface.

Implementation on our platform

The user who wishes for additional functionality to be added to our platform in future should express so via a support request.

Executables

the VASP package is composed of one main vasp executable only, through which all calculation flavors explained in what follows can be performed.

Flavors

The following computation flavors are available within VASP.

• vasp: "self-consistent field" total ground-state energy calculation.
• vasp_vc_relax_conv:
• vasp_nscf: for further processing of the results of non-scf calculations (for instance, in DOS calculations).
• vasp_zpe: for Zero Point Energy calculations.
• vasp_kpt_conv: for performing a k-points convergence study.
• vasp_relax: optimization of the atomic positions to relax the inter-atomic forces.
• vasp_vc_relax: "variable-cell" structural relaxation and optimization.
• vasp_bands: electronic band structure calculation.
• vasp_hse: for performing calculations using the HSE hybrid exchange-correlation functional.
• vasp_bands_hse: electronic band structure calculations using HSE.
• vasp_nscf_hse: for further processing of the results of non-scf HSE calculations.