Input 30-stress.02-gamma_point.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478910000000e-04 5.662478850000000e-04 2.830000000000000e-11 5.999999976025183e-12 PASS
Pressure (GPa) 1.665959419000000e+01 1.665959420000000e+01 8.330000000000000e-07 -1.000000082740371e-08 PASS
Kinetic stress (11) 9.361438598000000e-03 9.361438596000001e-03 4.680000000000000e-11 1.999999124646656e-12 PASS
Kinetic stress (12) -2.191065864000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.575075029136000e-15 PASS
Kinetic stress (13) 2.324957037000000e-15 -8.541147970000002e-16 5.350000000000000e-15 3.179071834000000e-15 PASS
Kinetic stress (21) -2.191065864000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.575075029136000e-15 PASS
Kinetic stress (22) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Kinetic stress (23) -3.954852505000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -3.462813315500000e-15 PASS
Kinetic stress (31) 2.324957037000000e-15 -8.541147970000002e-16 5.350000000000000e-15 3.179071834000000e-15 PASS
Kinetic stress (32) -3.954852505000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -3.462813315500000e-15 PASS
Kinetic stress (33) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Hartree stress (11) 8.859962930000000e-04 8.859962924000001e-04 4.430000000000000e-12 5.999999759184749e-13 PASS
Hartree stress (12) -2.374372418000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.374372418000000e-20 PASS
Hartree stress (13) 1.739365841000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.739365841000000e-20 PASS
Hartree stress (21) -2.374372418000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.374372418000000e-20 PASS
Hartree stress (22) 8.859962930000000e-04 8.859962924000001e-04 4.430000000000000e-12 5.999999759184749e-13 PASS
Hartree stress (23) -1.822192786000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.822192786000000e-20 PASS
Hartree stress (31) 1.739365841000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.739365841000000e-20 PASS
Hartree stress (32) -1.822192786000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.822192786000000e-20 PASS
Hartree stress (33) 8.859962930000000e-04 8.859962924000001e-04 4.430000000000000e-12 5.999999759184749e-13 PASS
XC stress (11) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) -2.104876874000000e-22 0.000000000000000e+00 1.000000000000000e-15 -2.104876874000000e-22 PASS
XC stress (13) -1.320494719000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.320494719000000e-19 PASS
XC stress (21) -2.104876874000000e-22 0.000000000000000e+00 1.000000000000000e-15 -2.104876874000000e-22 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) 9.737067245000000e-21 0.000000000000000e+00 1.000000000000000e-15 9.737067245000000e-21 PASS
XC stress (31) -1.320494719000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.320494719000000e-19 PASS
XC stress (32) 9.737067245000000e-21 0.000000000000000e+00 1.000000000000000e-15 9.737067245000000e-21 PASS
XC stress (33) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -4.523568278000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568278000000e-19 PASS
Ion-ion stress (13) 8.918692209000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918692209000000e-20 PASS
Ion-ion stress (21) -4.523568807000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568807000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) 8.963465368000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963465368000000e-20 PASS
Ion-ion stress (31) 8.918689560000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918689560000000e-20 PASS
Ion-ion stress (32) 8.963464045000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963464045000000e-20 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478911000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -5.499999978023085e-12 PASS
Stress (12) 5.390905009000000e-18 9.677328992000001e-16 1.060000000000000e-15 -9.623419941910001e-16 PASS
Stress (13) -4.443295495000000e-15 1.702185288000000e-15 1.030000000000000e-14 -6.145480783000001e-15 PASS
Stress (21) 5.390905062000000e-18 9.677329061999999e-16 1.060000000000000e-15 -9.623420011379999e-16 PASS
Stress (22) -5.662478906999999e-04 -5.662478852000001e-04 8.640000000000000e-12 -5.499999869602867e-12 PASS
Stress (23) 7.799915867000000e-15 1.173998455000000e-15 1.270000000000000e-14 6.625917412000000e-15 PASS
Stress (31) -4.443295495000000e-15 1.702185288000000e-15 1.030000000000000e-14 -6.145480783000001e-15 PASS
Stress (32) 7.799915867000000e-15 1.173998455000000e-15 1.270000000000000e-14 6.625917412000000e-15 PASS
Stress (33) -5.662478908000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -5.700000042276054e-12 PASS
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