mirror of https://gitlab.com/QEF/q-e.git
802b1c08c7
list of k-points was supposed to be equivalent to the automatic 4 4 4 1 1 1 grid, but it turns out not to be as "equivalent" as expected. As a consequence additional k+q-points were used in the calculation of the exact exchange term. Note that manual points from "k-points.x" work instead as expected. I guess it is another turn of the "displaced grid not having the full symmetry of the crystal" problem. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12213 c92efa57-630b-4861-b058-cf58834340f0 |
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benchmark.out.v5.3.0.inp=hse-si111.in | ||
benchmark.out.v5.3.0.inp=hse-si222.in | ||
benchmark.out.v5.3.0.inp=hse-si444.in | ||
hse-si111.in | ||
hse-si222.in | ||
hse-si444.in |