problem with tolwfr

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

Moderators: mverstra, joaocarloscabreu

Locked
ahd_dz
Posts: 4
Joined: Wed Oct 15, 2014 12:54 pm

problem with tolwfr

Post by ahd_dz » Sun Dec 14, 2014 3:39 pm

Hello
i trying to do the test telast_2.in to calculat
#Response function calculation for:
# * rigid-atom elastic tensor
# * rigid-atom piezoelectric tensor
# * interatomic force constants at gamma
# * Born effective charges

but i'm having a convergence problem with tolwfr2 = 1.0d-20 it only get to 1.0d-15

Locked