quantum-espresso/test-suite/pw_hse
giannozz 3321b0b40e In the definition of PBE and PBE-like functionals, several constants were
truncated to a small number of significant digits. This is completely 
irrelevant in terms of resuts but stll sufficient to yield very small but 
visible discrepancies with respect to other XC implementations. I have
converted to full precision all such constans I have spotted. There might
be more cases like these.
PW tests updated: a number of small changes, fixes and corrections 
affecting the numerical results had accumulated.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13592 c92efa57-630b-4861-b058-cf58834340f0
2017-07-12 08:26:45 +00:00
..
benchmark.out.SVN.inp=hse-si111.in In the definition of PBE and PBE-like functionals, several constants were 2017-07-12 08:26:45 +00:00
benchmark.out.SVN.inp=hse-si222.in In the definition of PBE and PBE-like functionals, several constants were 2017-07-12 08:26:45 +00:00
benchmark.out.SVN.inp=hse-si444.in In the definition of PBE and PBE-like functionals, several constants were 2017-07-12 08:26:45 +00:00
hse-si111.in The choice of k-points in the HSE example was less than ideal: the provided 2016-03-14 21:07:30 +00:00
hse-si222.in The choice of k-points in the HSE example was less than ideal: the provided 2016-03-14 21:07:30 +00:00
hse-si444.in The choice of k-points in the HSE example was less than ideal: the provided 2016-03-14 21:07:30 +00:00