Input 30-stress.02-gamma_point.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478890000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 3.999999984016789e-12 | PASS |
| Pressure (GPa) | 1.665959414000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -6.000000141170858e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -2.006248358000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577065470164200e-15 | PASS |
| Kinetic stress (13) | -4.034876898000000e-15 | -8.541147970000002e-16 | 3.500000000000000e-15 | -3.180762101000000e-15 | PASS |
| Kinetic stress (21) | -2.006248358000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577065470164200e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | 4.411986726000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.904025915500001e-15 | PASS |
| Kinetic stress (31) | -4.034876898000000e-15 | -8.541147970000002e-16 | 3.500000000000000e-15 | -3.180762101000000e-15 | PASS |
| Kinetic stress (32) | 4.411986726000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.904025915500001e-15 | PASS |
| Kinetic stress (33) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Hartree stress (11) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| Hartree stress (12) | 2.015455658000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.015455658000000e-20 | PASS |
| Hartree stress (13) | 1.408058062000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.408058062000000e-20 | PASS |
| Hartree stress (21) | 2.015455658000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.015455658000000e-20 | PASS |
| Hartree stress (22) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| Hartree stress (23) | 1.076750283000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.076750283000000e-20 | PASS |
| Hartree stress (31) | 1.408058062000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.408058062000000e-20 | PASS |
| Hartree stress (32) | 1.076750283000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.076750283000000e-20 | PASS |
| Hartree stress (33) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -1.549138557000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.549138557000000e-20 | PASS |
| XC stress (13) | 5.736700042000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.736700042000000e-20 | PASS |
| XC stress (21) | -1.549138557000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.549138557000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -3.199836365000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.199836365000000e-20 | PASS |
| XC stress (31) | 5.736700042000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.736700042000000e-20 | PASS |
| XC stress (32) | -3.199836365000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.199836365000000e-20 | 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) | -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) | -5.662478891000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -3.499999986014690e-12 | PASS |
| Stress (12) | 3.542738136000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.641901610640002e-16 | PASS |
| Stress (13) | 7.859344561999999e-15 | 1.702185288000000e-15 | 6.770000000000000e-15 | 6.157159273999999e-15 | PASS |
| Stress (21) | 3.542738136000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.641901680640000e-16 | PASS |
| Stress (22) | -5.662478891000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -3.899999897680195e-12 | PASS |
| Stress (23) | -7.903135749000001e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | -9.077134204000001e-15 | PASS |
| Stress (31) | 7.859344561999999e-15 | 1.702185288000000e-15 | 6.770000000000000e-15 | 6.157159273999999e-15 | PASS |
| Stress (32) | -7.903135749000001e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | -9.077134204000001e-15 | PASS |
| Stress (33) | -5.662478891000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -3.999999984016789e-12 | PASS |