Input 30-stress.02-gamma_point.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_mpi_autotools: [foss2023a-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) 1.153049010000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.577381399901000e-15 PASS
Kinetic stress (13) -6.987512240000000e-16 -8.541147970000002e-16 3.500000000000000e-15 1.553635730000001e-16 PASS
Kinetic stress (21) 1.153049010000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.577381399901000e-15 PASS
Kinetic stress (22) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (23) -6.443663745000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -5.951624555500000e-15 PASS
Kinetic stress (31) -6.987512240000000e-16 -8.541147970000002e-16 3.500000000000000e-15 1.553635730000001e-16 PASS
Kinetic stress (32) -6.443663745000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -5.951624555500000e-15 PASS
Kinetic stress (33) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Hartree stress (11) 8.859962926000000e-04 8.859962924000001e-04 4.430000000000000e-12 1.999999558327525e-13 PASS
Hartree stress (12) 1.761453027000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.761453027000000e-19 PASS
Hartree stress (13) -5.218097524000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.218097524000000e-20 PASS
Hartree stress (21) 1.761453027000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.761453027000000e-19 PASS
Hartree stress (22) 8.859962926000000e-04 8.859962924000001e-04 4.430000000000000e-12 1.999999558327525e-13 PASS
Hartree stress (23) 6.626155586000000e-21 0.000000000000000e+00 1.000000000000000e-15 6.626155586000000e-21 PASS
Hartree stress (31) -5.218097524000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.218097524000000e-20 PASS
Hartree stress (32) 6.626155586000000e-21 0.000000000000000e+00 1.000000000000000e-15 6.626155586000000e-21 PASS
Hartree stress (33) 8.859962926000000e-04 8.859962924000001e-04 4.430000000000000e-12 1.999999558327525e-13 PASS
XC stress (11) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) -3.306244879000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.306244879000000e-20 PASS
XC stress (13) -7.041596649000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.041596649000000e-21 PASS
XC stress (21) -3.306244879000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.306244879000000e-20 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) 3.640102915000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.640102915000000e-20 PASS
XC stress (31) -7.041596649000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.041596649000000e-21 PASS
XC stress (32) 3.640102915000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.640102915000000e-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) -4.559343973000000e-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) -5.662478886000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -2.999999988012592e-12 PASS
Stress (12) 1.368335974000000e-19 9.677328992000001e-16 1.060000000000000e-15 -9.675960656026001e-16 PASS
Stress (13) 1.387294453000000e-15 1.702185288000000e-15 6.770000000000000e-15 -3.148908349999999e-16 PASS
Stress (21) 1.368471503000000e-19 9.677329061999999e-16 1.060000000000000e-15 -9.675960590497000e-16 PASS
Stress (22) -5.662478883000000e-04 -5.662478852000001e-04 8.640000000000000e-12 -3.099999965928968e-12 PASS
Stress (23) 1.269215315000000e-14 1.173998455000000e-15 1.270000000000000e-14 1.151815469500000e-14 PASS
Stress (31) 1.387294455000000e-15 1.702185288000000e-15 6.770000000000000e-15 -3.148908329999999e-16 PASS
Stress (32) 1.269215315000000e-14 1.173998455000000e-15 1.270000000000000e-14 1.151815469500000e-14 PASS
Stress (33) -5.662478879000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -2.800000032179839e-12 PASS
Compare to other inputs