Input 30-stress.02-gamma_point.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916900000000e-04 5.654916880000001e-04 2.830000000000000e-11 1.999999883588177e-12 PASS
Pressure (GPa) 1.663734600000000e+01 1.663734593000000e+01 1.540000000000000e-07 7.000000223911229e-08 PASS
Kinetic stress (11) 9.361514555000000e-03 9.361514553000000e-03 4.680000000000000e-11 2.000000859370132e-12 PASS
Kinetic stress (12) -1.110223025000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.110223025000000e-18 PASS
Kinetic stress (13) 1.582067810000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.582067810000000e-18 PASS
Kinetic stress (21) -1.110223025000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.110223025000000e-18 PASS
Kinetic stress (22) 9.361514555000000e-03 9.361514554000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (23) -1.054711873000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.054711873000000e-18 PASS
Kinetic stress (31) 1.582067810000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.582067810000000e-18 PASS
Kinetic stress (32) -1.054711873000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.054711873000000e-18 PASS
Kinetic stress (33) 9.361514555000000e-03 9.361514553000000e-03 4.680000000000000e-11 2.000000859370132e-12 PASS
Hartree stress (11) 8.860627354999999e-04 8.860627345999999e-04 4.430000000000000e-12 9.000000180878209e-13 PASS
Hartree stress (12) 3.948084370000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.948084370000000e-20 PASS
Hartree stress (13) 9.939233380000001e-21 0.000000000000000e+00 1.000000000000000e-15 9.939233380000001e-21 PASS
Hartree stress (21) 3.948084370000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.948084370000000e-20 PASS
Hartree stress (22) 8.860627354999999e-04 8.860627345999999e-04 4.430000000000000e-12 9.000000180878209e-13 PASS
Hartree stress (23) 1.352840099000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.352840099000000e-20 PASS
Hartree stress (31) 9.939233380000001e-21 0.000000000000000e+00 1.000000000000000e-15 9.939233380000001e-21 PASS
Hartree stress (32) 1.352840099000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.352840099000000e-20 PASS
Hartree stress (33) 8.860627354999999e-04 8.860627345999999e-04 4.430000000000000e-12 9.000000180878209e-13 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) -3.874307525000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.874307525000000e-20 PASS
XC stress (13) -3.180418135000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.180418135000000e-20 PASS
XC stress (21) -3.874307525000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.874307525000000e-20 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -5.991212267000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.991212267000000e-20 PASS
XC stress (31) -3.180418135000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.180418135000000e-20 PASS
XC stress (32) -5.991212267000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.991212267000000e-20 PASS
XC stress (33) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -3.027589048000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.027589048000000e-19 PASS
Ion-ion stress (13) 1.566172853000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.566172853000000e-19 PASS
Ion-ion stress (21) -3.027741915000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.027741915000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) 1.907308227000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.907308227000000e-19 PASS
Ion-ion stress (31) 1.566156241000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.566156241000000e-19 PASS
Ion-ion stress (32) 1.907172239000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.907172239000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916904999999e-04 -5.654916880999999e-04 5.280000000000000e-12 -2.400000012094117e-12 PASS
Stress (12) 2.158387047000000e-18 0.000000000000000e+00 1.000000000000000e-15 2.158387047000000e-18 PASS
Stress (13) -2.102718721000000e-18 0.000000000000000e+00 1.000000000000000e-15 -2.102718721000000e-18 PASS
Stress (21) 2.158402334000000e-18 0.000000000000000e+00 1.000000000000000e-15 2.158402334000000e-18 PASS
Stress (22) -5.654916904000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -2.200000056261364e-12 PASS
Stress (23) 9.836024802000000e-19 0.000000000000000e+00 1.000000000000000e-15 9.836024802000000e-19 PASS
Stress (31) -2.102717060000000e-18 0.000000000000000e+00 1.000000000000000e-15 -2.102717060000000e-18 PASS
Stress (32) 9.836160791000001e-19 0.000000000000000e+00 1.000000000000000e-15 9.836160791000001e-19 PASS
Stress (33) -5.654916903000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -2.299999925757523e-12 PASS
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