Input 30-stress.02-gamma_point.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

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) 1.665959405000000e+01 1.665959420000000e+01 8.330000000000000e-07 -1.500000017529146e-07 PASS
Kinetic stress (11) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Kinetic stress (12) 3.330669074000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.577599161907400e-15 PASS
Kinetic stress (13) 7.355227538000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.548503197538002e-16 PASS
Kinetic stress (21) 3.330669074000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.577599161907400e-15 PASS
Kinetic stress (22) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Kinetic stress (23) 1.110223025000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.921502118025000e-16 PASS
Kinetic stress (31) 7.355227538000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.548503197538002e-16 PASS
Kinetic stress (32) 1.110223025000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.921502118025000e-16 PASS
Kinetic stress (33) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Hartree stress (11) 8.859962915000000e-04 8.859962924000001e-04 4.430000000000000e-12 -9.000000180878209e-13 PASS
Hartree stress (12) -9.219551755000000e-20 0.000000000000000e+00 1.000000000000000e-15 -9.219551755000000e-20 PASS
Hartree stress (13) 3.200155776000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.200155776000000e-20 PASS
Hartree stress (21) -9.219551755000000e-20 0.000000000000000e+00 1.000000000000000e-15 -9.219551755000000e-20 PASS
Hartree stress (22) 8.859962915000000e-04 8.859962924000001e-04 4.430000000000000e-12 -9.000000180878209e-13 PASS
Hartree stress (23) -7.416150618000001e-21 0.000000000000000e+00 1.000000000000000e-15 -7.416150618000001e-21 PASS
Hartree stress (31) 3.200155776000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.200155776000000e-20 PASS
Hartree stress (32) -7.416150618000001e-21 0.000000000000000e+00 1.000000000000000e-15 -7.416150618000001e-21 PASS
Hartree stress (33) 8.859962915000000e-04 8.859962924000001e-04 4.430000000000000e-12 -9.000000180878209e-13 PASS
XC stress (11) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (12) -3.103650071000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.103650071000000e-20 PASS
XC stress (13) 4.876077919000000e-20 0.000000000000000e+00 1.000000000000000e-15 4.876077919000000e-20 PASS
XC stress (21) -3.103650071000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.103650071000000e-20 PASS
XC stress (22) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (23) -1.774053479000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.774053479000000e-21 PASS
XC stress (31) 4.876077919000000e-20 0.000000000000000e+00 1.000000000000000e-15 4.876077919000000e-20 PASS
XC stress (32) -1.774053479000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.774053479000000e-21 PASS
XC stress (33) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 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) -5.662478860000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -4.000000200857223e-13 PASS
Stress (12) 3.787847450000000e-20 9.677328992000001e-16 1.060000000000000e-15 -9.676950207255000e-16 PASS
Stress (13) -1.548725331000000e-18 1.702185288000000e-15 1.030000000000000e-14 -1.703734013331000e-15 PASS
Stress (21) 3.787847450000000e-20 9.677329061999999e-16 1.060000000000000e-15 -9.676950277254999e-16 PASS
Stress (22) -5.662478860000000e-04 -5.662478852000001e-04 9.570000000000001e-12 -7.999999317512274e-13 PASS
Stress (23) -1.634614758000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.174161916475800e-15 PASS
Stress (31) -1.548725331000000e-18 1.702185288000000e-15 1.030000000000000e-14 -1.703734013331000e-15 PASS
Stress (32) -1.634614758000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.174161916475800e-15 PASS
Stress (33) -5.662478857000000e-04 -5.662478851000000e-04 9.680000000000001e-12 -5.999999759184749e-13 PASS
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