Input 30-stress.02-gamma_point.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478890000000e-04 5.662478850000000e-04 2.830000000000000e-11 3.999999984016789e-12 PASS
Pressure (GPa) 1.665959413000000e+01 1.665959420000000e+01 8.330000000000000e-07 -7.000000223911229e-08 PASS
Kinetic stress (11) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) -8.881784197000001e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576377916580300e-15 PASS
Kinetic stress (13) 4.440892099000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.545588862099002e-16 PASS
Kinetic stress (21) -8.881784197000001e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576377916580300e-15 PASS
Kinetic stress (22) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Kinetic stress (23) -6.245004514000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.914146890486000e-16 PASS
Kinetic stress (31) 4.440892099000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.545588862099002e-16 PASS
Kinetic stress (32) -6.245004514000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.914146890486000e-16 PASS
Kinetic stress (33) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Hartree stress (11) 8.859962927000000e-04 8.859962924000001e-04 4.430000000000000e-12 2.999999337491288e-13 PASS
Hartree stress (12) -3.313667181000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.313667181000000e-20 PASS
Hartree stress (13) 1.516154827000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.516154827000000e-20 PASS
Hartree stress (21) -3.313667181000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.313667181000000e-20 PASS
Hartree stress (22) 8.859962927000000e-04 8.859962924000001e-04 4.430000000000000e-12 2.999999337491288e-13 PASS
Hartree stress (23) -9.549553082000001e-22 0.000000000000000e+00 1.000000000000000e-15 -9.549553082000001e-22 PASS
Hartree stress (31) 1.516154827000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.516154827000000e-20 PASS
Hartree stress (32) -9.549553082000001e-22 0.000000000000000e+00 1.000000000000000e-15 -9.549553082000001e-22 PASS
Hartree stress (33) 8.859962927000000e-04 8.859962924000001e-04 4.430000000000000e-12 2.999999337491288e-13 PASS
XC stress (11) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) -1.654114082000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.654114082000000e-20 PASS
XC stress (13) 6.802662863000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.802662863000000e-20 PASS
XC stress (21) -1.654114082000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.654114082000000e-20 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) -2.353720945000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.353720945000000e-20 PASS
XC stress (31) 6.802662863000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.802662863000000e-20 PASS
XC stress (32) -2.353720945000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.353720945000000e-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) -4.451112881000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.451112881000000e-19 PASS
Ion-ion stress (13) 6.623349638000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.623349638000000e-20 PASS
Ion-ion stress (21) -4.451248145000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.451248145000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -1.229906970000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.229906970000000e-19 PASS
Ion-ion stress (31) 6.623180208000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.623180208000000e-20 PASS
Ion-ion stress (32) -1.229906706000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.229906706000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478883000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -2.700000054263463e-12 PASS
Stress (12) 1.631302834000000e-18 9.677328992000001e-16 1.060000000000000e-15 -9.661015963660002e-16 PASS
Stress (13) -3.575124933000000e-19 1.702185288000000e-15 1.030000000000000e-14 -1.702542800493300e-15 PASS
Stress (21) 1.631316361000000e-18 9.677329061999999e-16 1.060000000000000e-15 -9.661015898390000e-16 PASS
Stress (22) -5.662478886000000e-04 -5.662478852000001e-04 9.570000000000001e-12 -3.399999899678097e-12 PASS
Stress (23) 6.370866144000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.173361368385600e-15 PASS
Stress (31) -3.575107990000000e-19 1.702185288000000e-15 1.030000000000000e-14 -1.702542798799000e-15 PASS
Stress (32) 6.370865880000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.173361368412000e-15 PASS
Stress (33) -5.662478887000000e-04 -5.662478851000000e-04 9.680000000000001e-12 -3.599999963931066e-12 PASS
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