Input 30-stress.02-gamma_point.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_valgrind_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478860000000e-04 5.662478850000000e-04 2.830000000000000e-11 9.999999960041972e-13 PASS
Pressure (GPa) 1.665959406000000e+01 1.665959420000000e+01 8.330000000000000e-07 -1.400000009255109e-07 PASS
Kinetic stress (11) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) 4.180527723000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.581446622723000e-15 PASS
Kinetic stress (13) -5.716912502000000e-15 -8.541147970000002e-16 5.350000000000000e-15 -4.862797705000000e-15 PASS
Kinetic stress (21) 4.180527723000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.581446622723000e-15 PASS
Kinetic stress (22) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Kinetic stress (23) 3.896951121000000e-15 -4.920391895000000e-16 6.550000000000000e-15 4.388990310500000e-15 PASS
Kinetic stress (31) -5.716912502000000e-15 -8.541147970000002e-16 5.350000000000000e-15 -4.862797705000000e-15 PASS
Kinetic stress (32) 3.896951121000000e-15 -4.920391895000000e-16 6.550000000000000e-15 4.388990310500000e-15 PASS
Kinetic stress (33) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Hartree stress (11) 8.859962931000000e-04 8.859962924000001e-04 4.430000000000000e-12 6.999999538348511e-13 PASS
Hartree stress (12) -5.117797407000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.117797407000000e-20 PASS
Hartree stress (13) -1.055898181000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.055898181000000e-21 PASS
Hartree stress (21) -5.117797407000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.117797407000000e-20 PASS
Hartree stress (22) 8.859962931000000e-04 8.859962924000001e-04 4.430000000000000e-12 6.999999538348511e-13 PASS
Hartree stress (23) -1.492352431000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.492352431000000e-20 PASS
Hartree stress (31) -1.055898181000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.055898181000000e-21 PASS
Hartree stress (32) -1.492352431000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.492352431000000e-20 PASS
Hartree stress (33) 8.859962931000000e-04 8.859962924000001e-04 4.430000000000000e-12 6.999999538348511e-13 PASS
XC stress (11) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) -2.738083369000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.738083369000000e-20 PASS
XC stress (13) -5.513640931000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.513640931000000e-20 PASS
XC stress (21) -2.738083369000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.738083369000000e-20 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) 5.544607130000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.544607130000000e-20 PASS
XC stress (31) -5.513640931000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.513640931000000e-20 PASS
XC stress (32) 5.544607130000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.544607130000000e-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) -5.498299514000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.498299514000000e-19 PASS
Ion-ion stress (13) 1.027344596000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.027344596000000e-19 PASS
Ion-ion stress (21) -5.498299514000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.498299514000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -8.112874089000001e-21 0.000000000000000e+00 1.000000000000000e-15 -8.112874089000001e-21 PASS
Ion-ion stress (31) 1.027344596000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.027344596000000e-19 PASS
Ion-ion stress (32) -8.112874089000001e-21 0.000000000000000e+00 1.000000000000000e-15 -8.112874089000001e-21 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478857000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -9.999997791637627e-14 PASS
Stress (12) -7.789102973000000e-18 9.677328992000001e-16 1.060000000000000e-15 -9.755220021730002e-16 PASS
Stress (13) 1.110598014000000e-14 1.702185288000000e-15 1.030000000000000e-14 9.403794852000000e-15 PASS
Stress (21) -7.789102973000000e-18 9.677329061999999e-16 1.060000000000000e-15 -9.755220091730000e-16 PASS
Stress (22) -5.662478866000000e-04 -5.662478852000001e-04 8.640000000000000e-12 -1.399999907669702e-12 PASS
Stress (23) -7.514664753000001e-15 1.173998455000000e-15 1.270000000000000e-14 -8.688663208000001e-15 PASS
Stress (31) 1.110598014000000e-14 1.702185288000000e-15 1.030000000000000e-14 9.403794852000000e-15 PASS
Stress (32) -7.514664753000001e-15 1.173998455000000e-15 1.270000000000000e-14 -8.688663208000001e-15 PASS
Stress (33) -5.662478866000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -1.499999994006296e-12 PASS
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