Input 30-stress.02-gamma_point.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478900000000e-04 5.662478850000000e-04 2.830000000000000e-11 4.999999980020986e-12 PASS
Pressure (GPa) 1.665959415000000e+01 1.665959420000000e+01 8.330000000000000e-07 -5.000000058430487e-08 PASS
Kinetic stress (11) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Kinetic stress (12) -6.471060666000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576618988933400e-15 PASS
Kinetic stress (13) -6.989719540000000e-16 -8.541147970000002e-16 5.350000000000000e-15 1.551428430000001e-16 PASS
Kinetic stress (21) -6.471060666000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576618988933400e-15 PASS
Kinetic stress (22) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (23) -6.443666347000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -5.951627157500000e-15 PASS
Kinetic stress (31) -6.989719540000000e-16 -8.541147970000002e-16 5.350000000000000e-15 1.551428430000001e-16 PASS
Kinetic stress (32) -6.443666347000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -5.951627157500000e-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) 2.004412065000000e-19 0.000000000000000e+00 1.000000000000000e-15 2.004412065000000e-19 PASS
Hartree stress (13) -3.313077793000000e-21 0.000000000000000e+00 1.000000000000000e-15 -3.313077793000000e-21 PASS
Hartree stress (21) 2.004412065000000e-19 0.000000000000000e+00 1.000000000000000e-15 2.004412065000000e-19 PASS
Hartree stress (22) 8.859962925000000e-04 8.859962924000001e-04 4.430000000000000e-12 9.999997791637627e-14 PASS
Hartree stress (23) 1.932628713000000e-21 0.000000000000000e+00 1.000000000000000e-15 1.932628713000000e-21 PASS
Hartree stress (31) -3.313077793000000e-21 0.000000000000000e+00 1.000000000000000e-15 -3.313077793000000e-21 PASS
Hartree stress (32) 1.932628713000000e-21 0.000000000000000e+00 1.000000000000000e-15 1.932628713000000e-21 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) -9.050970558000000e-21 0.000000000000000e+00 1.000000000000000e-15 -9.050970558000000e-21 PASS
XC stress (13) 2.998030765000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.998030765000000e-20 PASS
XC stress (21) -9.050970558000000e-21 0.000000000000000e+00 1.000000000000000e-15 -9.050970558000000e-21 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) -8.007425967000000e-21 0.000000000000000e+00 1.000000000000000e-15 -8.007425967000000e-21 PASS
XC stress (31) 2.998030765000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.998030765000000e-20 PASS
XC stress (32) -8.007425967000000e-21 0.000000000000000e+00 1.000000000000000e-15 -8.007425967000000e-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) -4.559343973000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.559343973000000e-19 PASS
Ion-ion stress (13) 5.974689174000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.974689174000000e-20 PASS
Ion-ion stress (21) -4.559479503000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.559479503000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -1.303989486000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.303989486000000e-19 PASS
Ion-ion stress (31) 5.974520406000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.974520406000000e-20 PASS
Ion-ion stress (32) -1.303989023000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.303989023000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478897000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -4.099999961933165e-12 PASS
Stress (12) 7.519468238000000e-19 9.677328992000001e-16 1.060000000000000e-15 -9.669809523762001e-16 PASS
Stress (13) 1.387575022000000e-15 1.702185288000000e-15 1.030000000000000e-14 -3.146102660000001e-16 PASS
Stress (21) 7.519603767000000e-19 9.677329061999999e-16 1.060000000000000e-15 -9.669809458233000e-16 PASS
Stress (22) -5.662478896000000e-04 -5.662478852000001e-04 8.640000000000000e-12 -4.399999895682294e-12 PASS
Stress (23) 1.269256861000000e-14 1.173998455000000e-15 1.270000000000000e-14 1.151857015500000e-14 PASS
Stress (31) 1.387575024000000e-15 1.702185288000000e-15 1.030000000000000e-14 -3.146102640000000e-16 PASS
Stress (32) 1.269256861000000e-14 1.173998455000000e-15 1.270000000000000e-14 1.151857015500000e-14 PASS
Stress (33) -5.662478893000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -4.200000048269759e-12 PASS
Compare to other inputs