Calculation of elastic constants using VASP and external python package

This video presents how to calculate elastic constants using strain energies of density function theory package VASP. It uses open source external python library elastic_vasp to generate strained crystal and calculated elastic constants from strain-energy strain relationship using polynomial fitting.

[DenLargo-zpcp]

I tried to calculate for triclinic system. It created folders perfectly, but post-processing shows an errow. That ValueError: zero-size array to reduction operation minimum which has no identity

[KarthikHJ-lw]

Hello, in which direction have you applied strain in the code for calculating the elastic constants ? Have you given it all three lattice constant directions or specifically ?

[farahshehzadi]

Kindly upload video regarding phonon calculations for unit cell using DFPT approach in vasp.

[the_physicsworld]

any similar type method for quantum espresso???