Input 30-stress.02-gamma_point.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916870000000e-04 5.654916880000001e-04 2.830000000000000e-11 -1.000000104424414e-12 PASS
Pressure (GPa) 1.663734591000000e+01 1.663734593000000e+01 1.540000000000000e-07 -1.999999810209374e-08 PASS
Kinetic stress (11) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (12) 1.609823386000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.609823386000000e-18 PASS
Kinetic stress (13) -6.938893904000000e-19 0.000000000000000e+00 1.000000000000000e-15 -6.938893904000000e-19 PASS
Kinetic stress (21) 1.609823386000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.609823386000000e-18 PASS
Kinetic stress (22) 9.361514553000000e-03 9.361514554000000e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (23) -6.661338148000000e-19 0.000000000000000e+00 1.000000000000000e-15 -6.661338148000000e-19 PASS
Kinetic stress (31) -6.938893904000000e-19 0.000000000000000e+00 1.000000000000000e-15 -6.938893904000000e-19 PASS
Kinetic stress (32) -6.661338148000000e-19 0.000000000000000e+00 1.000000000000000e-15 -6.661338148000000e-19 PASS
Kinetic stress (33) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Hartree stress (11) 8.860627349000000e-04 8.860627345999999e-04 4.430000000000000e-12 3.000000421693461e-13 PASS
Hartree stress (12) 8.445472475000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.445472475000000e-20 PASS
Hartree stress (13) 1.228879892000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.228879892000000e-20 PASS
Hartree stress (21) 8.445472475000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.445472475000000e-20 PASS
Hartree stress (22) 8.860627349000000e-04 8.860627345999999e-04 4.430000000000000e-12 3.000000421693461e-13 PASS
Hartree stress (23) -2.417266354000000e-22 0.000000000000000e+00 1.000000000000000e-15 -2.417266354000000e-22 PASS
Hartree stress (31) 1.228879892000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.228879892000000e-20 PASS
Hartree stress (32) -2.417266354000000e-22 0.000000000000000e+00 1.000000000000000e-15 -2.417266354000000e-22 PASS
Hartree stress (33) 8.860627349000000e-04 8.860627345999999e-04 4.430000000000000e-12 3.000000421693461e-13 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) 8.826337077999999e-22 0.000000000000000e+00 1.000000000000000e-15 8.826337077999999e-22 PASS
XC stress (13) 4.352080660000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.352080660000000e-21 PASS
XC stress (21) 8.826337077999999e-22 0.000000000000000e+00 1.000000000000000e-15 8.826337077999999e-22 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -2.089691271000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.089691271000000e-20 PASS
XC stress (31) 4.352080660000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.352080660000000e-21 PASS
XC stress (32) -2.089691271000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.089691271000000e-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) -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) -5.654916876000000e-04 -5.654916880999999e-04 5.280000000000000e-12 4.999998895818814e-13 PASS
Stress (12) -1.002786203000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.002786203000000e-18 PASS
Stress (13) 5.427631444000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.427631444000000e-19 PASS
Stress (21) -1.002786203000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.002786203000000e-18 PASS
Stress (22) -5.654916873000000e-04 -5.654916881999999e-04 4.950000000000000e-12 8.999999096676037e-13 PASS
Stress (23) 1.083891242000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.083891242000000e-18 PASS
Stress (31) 5.427631444000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.427631444000000e-19 PASS
Stress (32) 1.083891242000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.083891242000000e-18 PASS
Stress (33) -5.654916872000000e-04 -5.654916880000001e-04 5.060000000000000e-12 8.000000401714447e-13 PASS
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