Zeshan Zada

4 Questions 6 Answers 0 Followers

Questions related from Zeshan Zada

Phonon calculations using Vasp?

I hope all is well. we got no imaginary frequency for a compound having and if we change Kpath still the compound will be no imaginary frequency for other kpath

02 February 2024 3,441 4 View

How I reduce imaginary frequency in phonon bandstructure using vasp for 3 2 2supercell?

How I reduce imaginary frequency in phonon bandstructure using vasp for 3 2 2supercell. What can I do next

23 September 2023 4,024 0 View

I calculate phonon bandstructure which have alot of imaginary frequency. However I increase the supercell many times but does not work. ?

I calculate phonon bandstructure which have alot of imaginary frequency. However I increase the supercell many times but does not work. Any information

19 September 2023 4,737 2 View

Calculations of phonon in vasp

Hello everyone, while doing phonon calculation in Vasp. i'm getting error in enter the command Phonopy -f [001..011]/ vasprun.xml . Kindly suggest me how to resolve it? … Read more Answer this...

01 January 1970 3,814 2 View