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quantum-espresso/test-suite/pw_pawatom
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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=paw-atom.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=paw-atom_l=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=paw-atom_lda.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=paw-atom_spin.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=paw-atom_spin_lda.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=paw-atom_tqr.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=paw-bfgs.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=paw-vcbfgs.in In the definition of PBE and PBE-like functionals, several constants were 2017-07-12 08:26:45 +00:00
paw-atom.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
paw-atom_l=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
paw-atom_lda.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
paw-atom_spin.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
paw-atom_spin_lda.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
paw-atom_tqr.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
paw-bfgs.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
paw-vcbfgs.in celldm(1) should be the lattice parameter, not the conversion factor from bohr 2017-03-05 21:42:37 +00:00