Input 30-stress.02-gamma_point.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916880000000e-04 5.654916880000001e-04 2.830000000000000e-11 -1.084202172485504e-19 PASS
Pressure (GPa) 1.663734594000000e+01 1.663734593000000e+01 1.540000000000000e-07 1.000000082740371e-08 PASS
Kinetic stress (11) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (12) -5.551115123000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.551115123000000e-19 PASS
Kinetic stress (13) 6.383782392000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.383782392000000e-19 PASS
Kinetic stress (21) -5.551115123000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.551115123000000e-19 PASS
Kinetic stress (22) 9.361514554000000e-03 9.361514554000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (23) -5.551115123000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.551115123000000e-19 PASS
Kinetic stress (31) 6.383782392000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.383782392000000e-19 PASS
Kinetic stress (32) -5.551115123000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.551115123000000e-19 PASS
Kinetic stress (33) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Hartree stress (11) 8.860627350000000e-04 8.860627345999999e-04 4.430000000000000e-12 4.000000200857223e-13 PASS
Hartree stress (12) -1.551624766000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.551624766000000e-19 PASS
Hartree stress (13) -1.380449080000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.380449080000000e-20 PASS
Hartree stress (21) -1.551624766000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.551624766000000e-19 PASS
Hartree stress (22) 8.860627350000000e-04 8.860627345999999e-04 4.430000000000000e-12 4.000000200857223e-13 PASS
Hartree stress (23) -2.208718529000000e-21 0.000000000000000e+00 1.000000000000000e-15 -2.208718529000000e-21 PASS
Hartree stress (31) -1.380449080000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.380449080000000e-20 PASS
Hartree stress (32) -2.208718529000000e-21 0.000000000000000e+00 1.000000000000000e-15 -2.208718529000000e-21 PASS
Hartree stress (33) 8.860627350000000e-04 8.860627345999999e-04 4.430000000000000e-12 4.000000200857223e-13 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) 4.217377044000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.217377044000000e-21 PASS
XC stress (13) 4.217377044000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.217377044000000e-21 PASS
XC stress (21) 4.217377044000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.217377044000000e-21 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -5.070423926000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.070423926000000e-20 PASS
XC stress (31) 4.217377044000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.217377044000000e-21 PASS
XC stress (32) -5.070423926000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.070423926000000e-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) -5.654916885000000e-04 -5.654916880999999e-04 5.280000000000000e-12 -4.000000200857223e-13 PASS
Stress (12) 6.828542322000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.828542322000000e-19 PASS
Stress (13) -1.438281982000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.438281982000000e-18 PASS
Stress (21) 6.828695189000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.828695189000000e-19 PASS
Stress (22) -5.654916882000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -1.084202172485504e-19 PASS
Stress (23) 5.497299844000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.497299844000000e-19 PASS
Stress (31) -1.438280320000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.438280320000000e-18 PASS
Stress (32) 5.497435833000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.497435833000000e-19 PASS
Stress (33) -5.654916886000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -5.999999759184749e-13 PASS
Compare to other inputs