Dear all,
I was wondering if there is a particular reason that a hybrid calculation
converges at the same threshold as the SCF as
tr2_final = tr2
Since my dexx converges painfully slowly after the first few iterations I
was wondering if it could be "safe" to terminate the calculation earlier?
Hello,
I'm using QE 6.5 build with Intel 2020 compilers and ELPA library. I
am seeing a weird MPI crash when running head.x (while every other
code in QE seems to run just fine!). I would be very grateful if
someone could point me in the right direction.
Abort(873024773) on node 0 (rank 0 in comm