Carrotkingdom

Slow SCF in comparison with QE on CALYPSO generated random structures.

12

### Details I generated 12 structures (each in a different chemical composition) using CALYPSO (a structure-search software). **The overall average performance against QE is nearly 60% slower.**  Please check...

PDOS support in PW

3

### Background We need to massively calculate the superconductivity of thousands of high-pressure superhydrides. PDOS calculations can be used to filter out high value configurations for Tc calculation. ### Describe...