Input 30-stress.02-gamma_point.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916890000000e-04 5.654916880000001e-04 2.830000000000000e-11 9.999998875839800e-13 PASS
Pressure (GPa) 1.663734597000000e+01 1.663734593000000e+01 1.540000000000000e-07 3.999999975690116e-08 PASS
Kinetic stress (11) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (12) -1.942890293000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.942890293000000e-19 PASS
Kinetic stress (13) -5.551115123000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.551115123000000e-20 PASS
Kinetic stress (21) -1.942890293000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.942890293000000e-19 PASS
Kinetic stress (22) 9.361514555000000e-03 9.361514554000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (23) 3.469446952000000e-19 0.000000000000000e+00 1.000000000000000e-15 3.469446952000000e-19 PASS
Kinetic stress (31) -5.551115123000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.551115123000000e-20 PASS
Kinetic stress (32) 3.469446952000000e-19 0.000000000000000e+00 1.000000000000000e-15 3.469446952000000e-19 PASS
Kinetic stress (33) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Hartree stress (11) 8.860627352000000e-04 8.860627345999999e-04 4.430000000000000e-12 6.000000843386921e-13 PASS
Hartree stress (12) -3.644385573000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.644385573000000e-20 PASS
Hartree stress (13) -1.656538897000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.656538897000000e-20 PASS
Hartree stress (21) -3.644385573000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.644385573000000e-20 PASS
Hartree stress (22) 8.860627352000000e-04 8.860627345999999e-04 4.430000000000000e-12 6.000000843386921e-13 PASS
Hartree stress (23) -6.073975954000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.073975954000000e-21 PASS
Hartree stress (31) -1.656538897000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.656538897000000e-20 PASS
Hartree stress (32) -6.073975954000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.073975954000000e-21 PASS
Hartree stress (33) 8.860627352000000e-04 8.860627345999999e-04 4.430000000000000e-12 6.000000843386921e-13 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) 3.274142330000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.274142330000000e-20 PASS
XC stress (13) -1.199142426000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.199142426000000e-19 PASS
XC stress (21) 3.274142330000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.274142330000000e-20 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -1.853456319000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.853456319000000e-20 PASS
XC stress (31) -1.199142426000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.199142426000000e-19 PASS
XC stress (32) -1.853456319000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.853456319000000e-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) -5.494876839000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.494876839000000e-19 PASS
Ion-ion stress (13) 1.030767272000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.030767272000000e-19 PASS
Ion-ion stress (21) -5.494876839000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.494876839000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -7.770561860000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.770561860000000e-21 PASS
Ion-ion stress (31) 1.030767272000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.030767272000000e-19 PASS
Ion-ion stress (32) -7.770561860000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.770561860000000e-21 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916892000000e-04 -5.654916880999999e-04 5.280000000000000e-12 -1.100000082340791e-12 PASS
Stress (12) 9.305912089000001e-19 0.000000000000000e+00 1.000000000000000e-15 9.305912089000001e-19 PASS
Stress (13) -5.708025671000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.708025671000000e-20 PASS
Stress (21) 9.305912089000001e-19 0.000000000000000e+00 1.000000000000000e-15 9.305912089000001e-19 PASS
Stress (22) -5.654916893000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -1.100000082340791e-12 PASS
Stress (23) -5.001436564000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.001436564000000e-19 PASS
Stress (31) -5.708025671000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.708025671000000e-20 PASS
Stress (32) -5.001436564000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.001436564000000e-19 PASS
Stress (33) -5.654916892000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -1.199999951836950e-12 PASS
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