Input 30-stress.02-gamma_point.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_ppc_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478870000000e-04 5.662478850000000e-04 2.830000000000000e-11 1.999999992008394e-12 PASS
Pressure (GPa) 1.665959408000000e+01 1.665959420000000e+01 8.330000000000000e-07 -1.199999992707035e-07 PASS
Kinetic stress (11) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) -6.475939576000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576618501042400e-15 PASS
Kinetic stress (13) 1.190136856000000e-17 -8.541147970000002e-16 3.500000000000000e-15 8.660161655600001e-16 PASS
Kinetic stress (21) -6.475939576000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576618501042400e-15 PASS
Kinetic stress (22) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Kinetic stress (23) -4.191675652000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -3.699636462500000e-15 PASS
Kinetic stress (31) 1.190136856000000e-17 -8.541147970000002e-16 3.500000000000000e-15 8.660161655600001e-16 PASS
Kinetic stress (32) -4.191675652000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -3.699636462500000e-15 PASS
Kinetic stress (33) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Hartree stress (11) 8.859962930000000e-04 8.859962924000001e-04 4.430000000000000e-12 5.999999759184749e-13 PASS
Hartree stress (12) 5.521796322000000e-21 0.000000000000000e+00 1.000000000000000e-15 5.521796322000000e-21 PASS
Hartree stress (13) -3.423513720000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.423513720000000e-20 PASS
Hartree stress (21) 5.521796322000000e-21 0.000000000000000e+00 1.000000000000000e-15 5.521796322000000e-21 PASS
Hartree stress (22) 8.859962930000000e-04 8.859962924000001e-04 4.430000000000000e-12 5.999999759184749e-13 PASS
Hartree stress (23) -7.730514851000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.730514851000000e-21 PASS
Hartree stress (31) -3.423513720000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.423513720000000e-20 PASS
Hartree stress (32) -7.730514851000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.730514851000000e-21 PASS
Hartree stress (33) 8.859962930000000e-04 8.859962924000001e-04 4.430000000000000e-12 5.999999759184749e-13 PASS
XC stress (11) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) -3.407190030000000e-22 0.000000000000000e+00 1.000000000000000e-15 -3.407190030000000e-22 PASS
XC stress (13) 5.517043223000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.517043223000000e-20 PASS
XC stress (21) -3.407190030000000e-22 0.000000000000000e+00 1.000000000000000e-15 -3.407190030000000e-22 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) -1.283985481000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.283985481000000e-19 PASS
XC stress (31) 5.517043223000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.517043223000000e-20 PASS
XC stress (32) -1.283985481000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.283985481000000e-19 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) -5.387728891000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.387728891000000e-19 PASS
Ion-ion stress (13) 1.094548984000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.094548984000000e-19 PASS
Ion-ion stress (21) -5.387728891000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.387728891000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -4.706841641000000e-22 0.000000000000000e+00 1.000000000000000e-15 -4.706841641000000e-22 PASS
Ion-ion stress (31) 1.094548984000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.094548984000000e-19 PASS
Ion-ion stress (32) -4.706841641000000e-22 0.000000000000000e+00 1.000000000000000e-15 -4.706841641000000e-22 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478865000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -9.000000180878209e-13 PASS
Stress (12) 1.804669426000000e-18 9.677328992000001e-16 1.060000000000000e-15 -9.659282297740001e-16 PASS
Stress (13) -2.767206915000000e-17 1.702185288000000e-15 6.770000000000000e-15 -1.729857357150000e-15 PASS
Stress (21) 1.804669426000000e-18 9.677329061999999e-16 1.060000000000000e-15 -9.659282367739999e-16 PASS
Stress (22) -5.662478874000000e-04 -5.662478852000001e-04 8.640000000000000e-12 -2.199999947841147e-12 PASS
Stress (23) 8.301522528000000e-15 1.173998455000000e-15 1.270000000000000e-14 7.127524073000000e-15 PASS
Stress (31) -2.767206915000000e-17 1.702185288000000e-15 6.770000000000000e-15 -1.729857357150000e-15 PASS
Stress (32) 8.301522528000000e-15 1.173998455000000e-15 1.270000000000000e-14 7.127524073000000e-15 PASS
Stress (33) -5.662478874000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -2.300000034177740e-12 PASS
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