Input 30-stress.02-gamma_point.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
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) | -2.219499913000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575046595087000e-15 | PASS |
| Kinetic stress (13) | 2.324420380000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.178535177000000e-15 | PASS |
| Kinetic stress (21) | -2.219499913000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575046595087000e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | -3.955130277000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463091087500000e-15 | PASS |
| Kinetic stress (31) | 2.324420380000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.178535177000000e-15 | PASS |
| Kinetic stress (32) | -3.955130277000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463091087500000e-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) | 1.214795191000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.214795191000000e-20 | PASS |
| Hartree stress (13) | -2.181109547000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.181109547000000e-20 | PASS |
| Hartree stress (21) | 1.214795191000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.214795191000000e-20 | PASS |
| Hartree stress (22) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| Hartree stress (23) | -3.589167609000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.589167609000000e-21 | PASS |
| Hartree stress (31) | -2.181109547000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.181109547000000e-20 | PASS |
| Hartree stress (32) | -3.589167609000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.589167609000000e-21 | 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) | -4.601781772000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.601781772000000e-20 | PASS |
| XC stress (13) | -1.188762037000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.188762037000000e-19 | PASS |
| XC stress (21) | -4.601781772000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.601781772000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 7.602755976000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.602755976000000e-21 | PASS |
| XC stress (31) | -1.188762037000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.188762037000000e-19 | PASS |
| XC stress (32) | 7.602755976000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.602755976000000e-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) | 5.500029443000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.622328697570000e-16 | PASS |
| Stress (13) | -4.443028167000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.145213455000000e-15 | PASS |
| Stress (21) | 5.500029496000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.622328767040000e-16 | PASS |
| Stress (22) | -5.662478906999999e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -5.499999869602867e-12 | PASS |
| Stress (23) | 7.800333790000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.626335335000000e-15 | PASS |
| Stress (31) | -4.443028166000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.145213453999999e-15 | PASS |
| Stress (32) | 7.800333790000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.626335335000000e-15 | PASS |
| Stress (33) | -5.662478908000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -5.700000042276054e-12 | PASS |