4 Commits

Author	SHA1	Message	Date
giannozz	802b1c08c7	The choice of k-points in the HSE example was less than ideal: the provided ... 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	2016-03-14 21:07:30 +00:00
spigafi	8229be554c	Reference benchmark outputs v5.3.0 ... git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11963 c92efa57-630b-4861-b058-cf58834340f0	2016-01-08 12:43:46 +00:00
spigafi	9d16702588	Removed old reference output ... git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11960 c92efa57-630b-4861-b058-cf58834340f0	2016-01-08 11:01:54 +00:00
spigafi	48405e66d4	Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. ... git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11921 c92efa57-630b-4861-b058-cf58834340f0	2015-12-26 19:40:22 +00:00