MP_REDUCE
tag. eigen2dos.f90
in the
otherTools
direction may help you. If these are not enough, you
can calculate the DOS at many Q-points separately and accumulate them
later, however, a trick is required. Firstly, calculate and write
frophorun.yaml with each Q-point on the mesh. Secondary, create DOS's
for each frophorun.yaml by yaml2dos.rb with same
--maxFreq
, --minFreq
and --dE
options. Then
accumulate DOS's values sampled on exactly same frequency sampling
points.