Input 30-stress.03-par_kpoints.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2022a_serial

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 7.843762470000000e-04 7.843762470000000e-04 3.920000000000000e-11 0.000000000000000e+00 PASS
Pressure (GPa) 2.307715433000000e+01 2.307715433000000e+01 1.150000000000000e-07 0.000000000000000e+00 PASS
Kinetic stress (11) 1.181860548000000e-02 1.181860548000000e-02 5.909999999999999e-11 -1.734723475976807e-18 PASS
Kinetic stress (12) -1.066401957000000e-07 -1.066401957000000e-07 5.330000000000000e-16 -1.323488980084844e-23 PASS
Kinetic stress (13) -5.144847402000000e-05 -5.144847402000000e-05 2.570000000000000e-13 0.000000000000000e+00 PASS
Kinetic stress (21) -1.066401957000000e-07 -1.066401957000000e-07 5.330000000000000e-16 -1.323488980084844e-23 PASS
Kinetic stress (22) 1.326567965000000e-02 1.326567965000000e-02 6.630000000000001e-11 0.000000000000000e+00 PASS
Kinetic stress (23) 1.219676430000000e-04 1.219676430000000e-04 6.100000000000000e-12 0.000000000000000e+00 PASS
Kinetic stress (31) -5.144847402000000e-05 -5.144847402000000e-05 2.570000000000000e-13 0.000000000000000e+00 PASS
Kinetic stress (32) 1.219676430000000e-04 1.219676430000000e-04 6.100000000000000e-12 0.000000000000000e+00 PASS
Kinetic stress (33) 1.316742171000000e-02 1.316742171000000e-02 6.580000000000000e-11 0.000000000000000e+00 PASS
Hartree stress (11) 7.577651179000000e-04 7.577651179000001e-04 3.790000000000000e-12 -1.084202172485504e-19 PASS
Hartree stress (12) 1.320122031000000e-04 1.320122031000000e-04 6.600000000000000e-13 -2.710505431213761e-20 PASS
Hartree stress (13) -9.208877863000000e-05 -9.208877863000001e-05 4.600000000000000e-13 1.355252715606881e-20 PASS
Hartree stress (21) 1.320122031000000e-04 1.320122031000000e-04 6.600000000000000e-13 -2.710505431213761e-20 PASS
Hartree stress (22) 9.724328191000000e-04 9.724328191000000e-04 4.860000000000000e-12 0.000000000000000e+00 PASS
Hartree stress (23) 1.799918035000000e-04 1.799918035000000e-04 9.000000000000000e-13 0.000000000000000e+00 PASS
Hartree stress (31) -9.208877863000000e-05 -9.208877863000001e-05 4.600000000000000e-13 1.355252715606881e-20 PASS
Hartree stress (32) 1.799918035000000e-04 1.799918035000000e-04 9.000000000000000e-13 0.000000000000000e+00 PASS
Hartree stress (33) 8.819740040000000e-04 8.819740040000001e-04 4.410000000000000e-11 -1.084202172485504e-19 PASS
XC stress (11) -4.919494664000000e-03 -4.919494664000000e-03 2.460000000000000e-11 0.000000000000000e+00 PASS
XC stress (12) -1.419618471000000e-05 -1.419618471000000e-05 7.100000000000000e-14 1.694065894508601e-21 PASS
XC stress (13) 8.311047290999999e-06 8.311047291000001e-06 4.160000000000000e-14 -1.694065894508601e-21 PASS
XC stress (21) -1.419618471000000e-05 -1.419618471000000e-05 7.100000000000000e-14 1.694065894508601e-21 PASS
XC stress (22) -4.949842735000000e-03 -4.949842735000000e-03 2.470000000000000e-11 0.000000000000000e+00 PASS
XC stress (23) -2.466540075000000e-05 -2.466540075000000e-05 1.230000000000000e-13 0.000000000000000e+00 PASS
XC stress (31) 8.311047290999999e-06 8.311047291000001e-06 4.160000000000000e-14 -1.694065894508601e-21 PASS
XC stress (32) -2.466540075000000e-05 -2.466540075000000e-05 1.230000000000000e-13 0.000000000000000e+00 PASS
XC stress (33) -4.934135156000000e-03 -4.934135156000000e-03 2.470000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (11) -1.649667662000000e-02 -1.649667662000000e-02 8.250000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) 1.129036311000000e-03 1.129036311000000e-03 5.650000000000000e-12 0.000000000000000e+00 PASS
Ion-ion stress (13) -5.340350017000000e-04 -5.340350016999999e-04 2.670000000000000e-12 -1.084202172485504e-19 PASS
Ion-ion stress (21) 1.129036311000000e-03 1.129036311000000e-03 5.650000000000000e-12 0.000000000000000e+00 PASS
Ion-ion stress (22) -1.537087689000000e-02 -1.537087689000000e-02 7.690000000000000e-16 0.000000000000000e+00 PASS
Ion-ion stress (23) 1.722698484000000e-03 1.722698484000000e-03 8.610000000000000e-12 -2.168404344971009e-19 PASS
Ion-ion stress (31) -5.340350017000000e-04 -5.340350016999999e-04 2.670000000000000e-12 -1.084202172485504e-19 PASS
Ion-ion stress (32) 1.722698484000000e-03 1.722698484000000e-03 8.610000000000000e-12 -2.168404344971009e-19 PASS
Ion-ion stress (33) -1.588156233000000e-02 -1.588156233000000e-02 7.940000000000000e-11 -3.469446951953614e-18 PASS
Stress (11) 1.674270314000000e-04 1.674270314000000e-04 8.370000000000000e-13 0.000000000000000e+00 PASS
Stress (12) -3.073199045000000e-04 -3.073199045000000e-04 3.070000000000000e-18 5.421010862427522e-20 PASS
Stress (13) 7.451748862000000e-05 7.451748862000000e-05 3.730000000000000e-13 0.000000000000000e+00 PASS
Stress (21) -3.073199045000000e-04 -3.073199045000000e-04 3.070000000000000e-18 5.421010862427522e-20 PASS
Stress (22) -1.351733165000000e-03 -1.351733165000000e-03 6.760000000000000e-12 2.168404344971009e-19 PASS
Stress (23) -5.513513031000000e-04 -5.513513031000000e-04 2.760000000000000e-12 0.000000000000000e+00 PASS
Stress (31) 7.451748862000000e-05 7.451748862000000e-05 3.730000000000000e-13 0.000000000000000e+00 PASS
Stress (32) -5.513513031000000e-04 -5.513513031000000e-04 2.760000000000000e-12 0.000000000000000e+00 PASS
Stress (33) -1.168822607000000e-03 -1.168822607000000e-03 5.840000000000000e-12 0.000000000000000e+00 PASS
Compare to other inputs