Input 30-stress.02-gamma_point.inp
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478880000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 2.999999988012592e-12 | PASS |
| Pressure (GPa) | 1.665959412000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -7.999999951380232e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -8.881784197000001e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576377916580300e-15 | PASS |
| Kinetic stress (13) | -6.661338148000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.534486631852002e-16 | PASS |
| Kinetic stress (21) | -8.881784197000001e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576377916580300e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | -8.326672685000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.912065222315000e-16 | PASS |
| Kinetic stress (31) | -6.661338148000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.534486631852002e-16 | PASS |
| Kinetic stress (32) | -8.326672685000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.912065222315000e-16 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| Hartree stress (12) | 1.625106419000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.625106419000000e-20 | PASS |
| Hartree stress (13) | 1.245094242000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.245094242000000e-20 | PASS |
| Hartree stress (21) | 1.625106419000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.625106419000000e-20 | PASS |
| Hartree stress (22) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| Hartree stress (23) | 1.859443502000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.859443502000000e-20 | PASS |
| Hartree stress (31) | 1.245094242000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.245094242000000e-20 | PASS |
| Hartree stress (32) | 1.859443502000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.859443502000000e-20 | PASS |
| Hartree stress (33) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 2.479558772000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.479558772000000e-21 | PASS |
| XC stress (13) | -3.741908118000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.741908118000000e-20 | PASS |
| XC stress (21) | 2.479558772000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.479558772000000e-21 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -3.237796459000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.237796459000000e-20 | PASS |
| XC stress (31) | -3.741908118000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.741908118000000e-20 | PASS |
| XC stress (32) | -3.237796459000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.237796459000000e-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) | -4.451112881000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.451112881000000e-19 | PASS |
| Ion-ion stress (13) | 6.623349638000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.623349638000000e-20 | PASS |
| Ion-ion stress (21) | -4.451248145000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.451248145000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -1.229906970000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.229906970000000e-19 | PASS |
| Ion-ion stress (31) | 6.623180208000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.623180208000000e-20 | PASS |
| Ion-ion stress (32) | -1.229906706000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.229906706000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478881000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -2.499999990010493e-12 | PASS |
| Stress (12) | 1.395936271000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.663369629290001e-16 | PASS |
| Stress (13) | 8.160152319000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.701369272768100e-15 | PASS |
| Stress (21) | 1.395949797000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.663369564030000e-16 | PASS |
| Stress (22) | -5.662478886000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -3.399999899678097e-12 | PASS |
| Stress (23) | 1.169384705000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.172829070295000e-15 | PASS |
| Stress (31) | 8.160169262000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.701369271073800e-15 | PASS |
| Stress (32) | 1.169384679000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.172829070321000e-15 | PASS |
| Stress (33) | -5.662478886000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -3.499999986014690e-12 | PASS |