Input 30-stress.02-gamma_point.inp

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916909999999e-04 5.654916880000001e-04 2.830000000000000e-11 2.999999879592374e-12 PASS
Pressure (GPa) 1.663734601000000e+01 1.663734593000000e+01 1.540000000000000e-07 8.000000306651600e-08 PASS
Kinetic stress (11) 9.361514555000000e-03 9.361514553000000e-03 4.680000000000000e-11 2.000000859370132e-12 PASS
Kinetic stress (12) 1.942890293000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.942890293000000e-18 PASS
Kinetic stress (13) 1.110223025000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-19 PASS
Kinetic stress (21) 1.942890293000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.942890293000000e-18 PASS
Kinetic stress (22) 9.361514555000000e-03 9.361514554000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (23) -3.885780586000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.885780586000000e-19 PASS
Kinetic stress (31) 1.110223025000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-19 PASS
Kinetic stress (32) -3.885780586000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.885780586000000e-19 PASS
Kinetic stress (33) 9.361514555000000e-03 9.361514553000000e-03 4.680000000000000e-11 2.000000859370132e-12 PASS
Hartree stress (11) 8.860627356000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000104424414e-12 PASS
Hartree stress (12) 1.697236567000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.697236567000000e-20 PASS
Hartree stress (13) -2.404467096000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.404467096000000e-20 PASS
Hartree stress (21) 1.697236567000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.697236567000000e-20 PASS
Hartree stress (22) 8.860627356000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000104424414e-12 PASS
Hartree stress (23) 1.498935570000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.498935570000000e-20 PASS
Hartree stress (31) -2.404467096000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.404467096000000e-20 PASS
Hartree stress (32) 1.498935570000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.498935570000000e-20 PASS
Hartree stress (33) 8.860627356000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000104424414e-12 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) -3.771969136000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.771969136000000e-20 PASS
XC stress (13) -6.494668797000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.494668797000000e-21 PASS
XC stress (21) -3.771969136000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.771969136000000e-20 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -1.149173967000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.149173967000000e-20 PASS
XC stress (31) -6.494668797000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.494668797000000e-21 PASS
XC stress (32) -1.149173967000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.149173967000000e-20 PASS
XC stress (33) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -4.451112881000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.451112881000000e-19 PASS
Ion-ion stress (13) 6.623349638000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.623349638000000e-20 PASS
Ion-ion stress (21) -4.451248145000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.451248145000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -1.229906970000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.229906970000000e-19 PASS
Ion-ion stress (31) 6.623180208000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.623180208000000e-20 PASS
Ion-ion stress (32) -1.229906706000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.229906706000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916909999999e-04 -5.654916880999999e-04 5.280000000000000e-12 -2.900000010096215e-12 PASS
Stress (12) -2.205277160000000e-18 0.000000000000000e+00 1.000000000000000e-15 -2.205277160000000e-18 PASS
Stress (13) -4.717407597000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.717407597000000e-19 PASS
Stress (21) -2.205263633000000e-18 0.000000000000000e+00 1.000000000000000e-15 -2.205263633000000e-18 PASS
Stress (22) -5.654916908000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -2.600000076347087e-12 PASS
Stress (23) 6.554934360000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.554934360000000e-19 PASS
Stress (31) -4.717390654000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.717390654000000e-19 PASS
Stress (32) 6.554934096000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.554934096000000e-19 PASS
Stress (33) -5.654916907000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -2.699999945843246e-12 PASS
Compare to other inputs