Phonon calculations using Vasp?

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Wang Jinkai

So are you assuming that there should be imaginary frequency in the system?

Why and please provide more info about what you done and wanna do, more suggestions are able to come.

Dr. Wang

Zeshan Zada

Sir I run calculations for 5 5 2 supercell .and there we got no imaginary frequency now our prof. Says change the kpath . So I am saying that for other kpath are we got imaginary frequency

Sorry for the late reply. I was on vacation last week.

okay.

And if an imaginary freq appears, there are two basic ways you can try to eliminate it:

1. Increase the calculation accuracy of energy and force

2. Use supercell like 5x5x3

Sir kindly read this error . And recommend me some websites to search these errors . It is wasting my time