Input 30-stress.02-gamma_point.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run intel_omp_autotools: [intel2023a-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) 1.665959409000000e+01 1.665959420000000e+01 8.330000000000000e-07 -1.100000019960135e-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) 2.220446049000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.543368416049001e-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) -4.440892099000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.915951002901000e-16 PASS
Kinetic stress (31) 2.220446049000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.543368416049001e-16 PASS
Kinetic stress (32) -4.440892099000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.915951002901000e-16 PASS
Kinetic stress (33) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Hartree stress (11) 8.859962913999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.000000104424414e-12 PASS
Hartree stress (12) -1.189947107000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.189947107000000e-19 PASS
Hartree stress (13) 3.865257425000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.865257425000000e-21 PASS
Hartree stress (21) -1.189947107000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.189947107000000e-19 PASS
Hartree stress (22) 8.859962913999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.000000104424414e-12 PASS
Hartree stress (23) 1.932628713000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.932628713000000e-20 PASS
Hartree stress (31) 3.865257425000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.865257425000000e-21 PASS
Hartree stress (32) 1.932628713000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.932628713000000e-20 PASS
Hartree stress (33) 8.859962913999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.000000104424414e-12 PASS
XC stress (11) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (12) -3.169639640000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.169639640000000e-20 PASS
XC stress (13) -2.128805555000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.128805555000000e-20 PASS
XC stress (21) -3.169639640000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.169639640000000e-20 PASS
XC stress (22) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (23) 8.846030936000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.846030936000000e-20 PASS
XC stress (31) -2.128805555000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.128805555000000e-20 PASS
XC stress (32) 8.846030936000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.846030936000000e-20 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) -4.523568278000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568278000000e-19 PASS
Ion-ion stress (13) 8.918692209000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918692209000000e-20 PASS
Ion-ion stress (21) -4.523568807000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568807000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) 8.963465368000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963465368000000e-20 PASS
Ion-ion stress (31) 8.918689560000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918689560000000e-20 PASS
Ion-ion stress (32) 8.963464045000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963464045000000e-20 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478870000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -1.400000016089920e-12 PASS
Stress (12) -3.977235406000000e-19 9.677328992000001e-16 1.060000000000000e-15 -9.681306227406001e-16 PASS
Stress (13) -3.669136014000000e-19 1.702185288000000e-15 1.030000000000000e-14 -1.702552201601400e-15 PASS
Stress (21) -3.977234877000000e-19 9.677329061999999e-16 1.060000000000000e-15 -9.681306296876999e-16 PASS
Stress (22) -5.662478874000000e-04 -5.662478852000001e-04 9.570000000000001e-12 -2.199999947841147e-12 PASS
Stress (23) 1.959583236000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.173802496676400e-15 PASS
Stress (31) -3.669135749000000e-19 1.702185288000000e-15 1.030000000000000e-14 -1.702552201574900e-15 PASS
Stress (32) 1.959583369000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.173802496663100e-15 PASS
Stress (33) -5.662478874000000e-04 -5.662478851000000e-04 9.680000000000001e-12 -2.300000034177740e-12 PASS
Compare to other inputs