[Pw_forum] 'etot_conv_thr' and 'forc_conv_thr' in the vc-relax calculation

[carlo sbraccia]

Dear Shujun Hu,

in the case of variable cell relaxations, a third criterion has to be
satisfied:

all the components of the stress tensor must be smaller than 0.5 kbar
(this cannot be set in the input file).

In your case the some components are still larger than this threshold.

If you want to change this threshold look for the variable epsp in the
PW/vcsmd.f90 file and recompile.

carlo