quantum-espresso/test-suite/pw_berry
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=berry-1.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=berry-2.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=berry.in In the definition of PBE and PBE-like functionals, several constants were 2017-07-12 08:26:45 +00:00
berry-1.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00
berry-2.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00
berry.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00