Dear Professors and Researchers. Does anyone know how to install and work in Vienna Ab initio Simulation Package (VASP)?

More Subramanian Siva's questions See All

Why reactivity isn't increased with more empty spots in valence shell?

If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...

03 August 2024 4,787 2 View

Why is the molecule's orientation with an electric field affect polarizability?

Why is the molecule's orientation with an electric field affect polarizability? Electrons are diffuse enough to be independent with respect to orientation and effect of electric field on...

03 August 2024 7,843 1 View

Why don't d-orbitals split themselves, why does it take a ligand? why don't protons from ligand repel nucleus split d-orbitals?

why don't d-orbitals split themselves because of themselves without the presence of ligands? Electrons are indistinguishable. Why wouldn't it be more correct that protons from a ligand split the...

03 August 2024 3,589 3 View

Why doesn't chromium 2+ ion use all its d-orbitals to receive lone pairs from six waters in [Cr(H20)6)]3+?

I'm guessing it's because the ligand experiences too much electron repulsion or proton repulsion from the chromium to insert them close to the 3d-orbitals which are close to the metal nucleus. Is...

03 August 2024 1,370 1 View

Request a single Lecture notes for math as detailed as this that I can find in one place?

- The Existence/Uniqueness of Solutions to Higher Order Linear Differential Equations - Higher Order Homogenous Differential Equations - Wronskian Determinants of $n$ Functions - Wronskian...

03 August 2024 2,366 0 View

Why aren't most metal oxides insoluble in water?

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03 August 2024 5,392 1 View

London dispersion in CCl4 vs the dipole-dipoles force strength in CHCl3?

How do you tie-break and rank these two in their strength?

03 August 2024 4,471 1 View

Why do paired electrons atoms produce no magnetic field lines?

If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...

03 August 2024 3,927 2 View

Why chloride turns into chlorine gas in a Downs cell?

I imagine the battery drives the graphite into a carbocation, then chloride is oxidized to donate the electron to the carbocation, but what pushes the lost electrons of chloride to be shared...

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How to draw the five chelate rings of [Co(EDTA)]- on this picture?

Is this circle one of the rings?

03 August 2024 5,988 0 View

VASP recognize my insulating alloy structure as not insulating?

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07 August 2024 486 5 View

How to build a heterostructure of two materials having different space group?

How to build a heterostructure in VESTA/VASP of two pristine materials having different space group and structure?

27 July 2024 739 2 View

How can I use DFT-D3 correction ( Siesta version 5.0.1)?

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Reason for discontinuities in my Band structure?

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MDCI module in Orca software?

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Is it possible to run the AIMD within a system using virtual crystal approximation (VCA)?

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How to perform band structure calculation of a bulk, nonmagnetic superconductor with spin-orbit coupling using vasp?

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Hybrid functional with meta-GGA in VASP?

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How to calculate Raman Spectra using VASP?

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10 June 2024 872 1 View

How to plot LDOS against distance (Ang) instead of energy?

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Lucas Gian Fachini

VASP is copyright protected, this means that if you are not a member of a research group that has the license, you must buy one to use the software. More details are shown in their website: https://www.vasp.at/info/faq/

After having a license, you could see the installation process at their wiki, https://www.vasp.at/wiki/index.php/The_VASP_Manual, it's pretty simple.

Subramanian Siva

Dear Lucas Gian Fachini,

Thank you very much for your suggestions and responses.