Subhadeep Banerjee

2 Questions 4 Answers 0 Followers

Questions related from Subhadeep Banerjee

Facing compilation issue while building VASP software. How to fix this issue?

I followed these steps while installation VASP: 1. First, I untar the vasp.6.4.2.tgz file. 2. I installed the Intel classic and oneAPI compilers (ifort, icc, ifx, and icx). 3. Then I sourced the...

22 April 2025 6,028 0 View

Do I need to perform the phonon dispersion calculation for the supercell when the lattice parameter of the unit cell is much smaller (~ 6 angstrom)?

On the VASPwiki page (https://www.vasp.at/wiki/index.php/Computing_the_phonon_dispersion_and_DOS#LO-TO_splitting), the steps of the phonon dispersion calculation are nicely written. However, it is...

08 March 2025 7,396 3 View