Table 1 Breakdown of the computational time needed for the various expensive parts of the code for silicon. An n-type carrier concentration of 2.75 × 1014 cm−3 at 300 K using a (50, 150) mesh set is considered here.

From: The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations

task

e–ph vertex

ph–ph vertex

e–ph BTEs

e BTE

ph BTE

time (CPU-hours)

744

545

1467

66

28