Input 30-stress.02-gamma_point.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-parallel-debug: [intel2023a-mpi]
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) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (12) | -2.132673107000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575133421893000e-15 | PASS |
| Kinetic stress (13) | 2.299057212000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.153172009000000e-15 | PASS |
| Kinetic stress (21) | -2.132673107000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575133421893000e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | -3.955198148000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463158958500000e-15 | PASS |
| Kinetic stress (31) | 2.299057212000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.153172009000000e-15 | PASS |
| Kinetic stress (32) | -3.955198148000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463158958500000e-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) | 4.693526874000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.693526874000000e-21 | PASS |
| Hartree stress (13) | 1.270013154000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.270013154000000e-20 | PASS |
| Hartree stress (21) | 4.693526874000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.693526874000000e-21 | PASS |
| Hartree stress (22) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| Hartree stress (23) | -1.822192786000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.822192786000000e-20 | PASS |
| Hartree stress (31) | 1.270013154000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.270013154000000e-20 | PASS |
| Hartree stress (32) | -1.822192786000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.822192786000000e-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) | -1.204508380000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.204508380000000e-19 | PASS |
| XC stress (13) | -5.959088542000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.959088542000000e-21 | PASS |
| XC stress (21) | -1.204508380000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.204508380000000e-19 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 1.432904461000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.432904461000000e-20 | PASS |
| XC stress (31) | -5.959088542000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.959088542000000e-21 | PASS |
| XC stress (32) | 1.432904461000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.432904461000000e-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) | -4.384790399000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.384790399000000e-19 | PASS |
| Ion-ion stress (13) | 1.030647100000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030647100000000e-19 | PASS |
| Ion-ion stress (21) | -4.384790928000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.384790928000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 1.035124415000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.035124415000000e-19 | PASS |
| Ion-ion stress (31) | 1.030646835000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030646835000000e-19 | PASS |
| Ion-ion stress (32) | 1.035124282000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.035124282000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478911999999e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -5.599999955939461e-12 | PASS |
| Stress (12) | 5.574259160000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.621586400400001e-16 | PASS |
| Stress (13) | -4.454747939000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.156933227000000e-15 | PASS |
| Stress (21) | 5.574259213000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.621586469869999e-16 | PASS |
| Stress (22) | -5.662478909000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -5.699999933855837e-12 | PASS |
| Stress (23) | 7.800093589999999e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.626095134999999e-15 | PASS |
| Stress (31) | -4.454747939000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.156933227000000e-15 | PASS |
| Stress (32) | 7.800093589999999e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.626095134999999e-15 | PASS |
| Stress (33) | -5.662478904000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -5.300000022190332e-12 | PASS |