Input 30-stress.02-gamma_point.inp

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916890000000e-04 5.654916880000001e-04 2.830000000000000e-11 9.999998875839800e-13 PASS
Pressure (GPa) 1.663734596000000e+01 1.663734593000000e+01 1.540000000000000e-07 3.000000248221113e-08 PASS
Kinetic stress (11) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (12) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Kinetic stress (13) 6.522560270000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.522560270000000e-19 PASS
Kinetic stress (21) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Kinetic stress (22) 9.361514554000000e-03 9.361514554000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (23) -4.857225733000000e-20 0.000000000000000e+00 1.000000000000000e-15 -4.857225733000000e-20 PASS
Kinetic stress (31) 6.522560270000000e-19 0.000000000000000e+00 1.000000000000000e-15 6.522560270000000e-19 PASS
Kinetic stress (32) -4.857225733000000e-20 0.000000000000000e+00 1.000000000000000e-15 -4.857225733000000e-20 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) 1.264491358000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.264491358000000e-19 PASS
Hartree stress (13) -5.797886138000000e-21 0.000000000000000e+00 1.000000000000000e-15 -5.797886138000000e-21 PASS
Hartree stress (21) 1.264491358000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.264491358000000e-19 PASS
Hartree stress (22) 8.860627350000000e-04 8.860627345999999e-04 4.430000000000000e-12 4.000000200857223e-13 PASS
Hartree stress (23) -8.558784299000000e-21 0.000000000000000e+00 1.000000000000000e-15 -8.558784299000000e-21 PASS
Hartree stress (31) -5.797886138000000e-21 0.000000000000000e+00 1.000000000000000e-15 -5.797886138000000e-21 PASS
Hartree stress (32) -8.558784299000000e-21 0.000000000000000e+00 1.000000000000000e-15 -8.558784299000000e-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) -4.858792744000000e-20 0.000000000000000e+00 1.000000000000000e-15 -4.858792744000000e-20 PASS
XC stress (13) 1.386211770000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.386211770000000e-20 PASS
XC stress (21) -4.858792744000000e-20 0.000000000000000e+00 1.000000000000000e-15 -4.858792744000000e-20 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -1.777498640000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.777498640000000e-21 PASS
XC stress (31) 1.386211770000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.386211770000000e-20 PASS
XC stress (32) -1.777498640000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.777498640000000e-21 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) -5.494876839000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.494876839000000e-19 PASS
Ion-ion stress (13) 1.030767272000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.030767272000000e-19 PASS
Ion-ion stress (21) -5.494876839000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.494876839000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -7.770561860000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.770561860000000e-21 PASS
Ion-ion stress (31) 1.030767272000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.030767272000000e-19 PASS
Ion-ion stress (32) -7.770561860000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.770561860000000e-21 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916889000000e-04 -5.654916880999999e-04 5.280000000000000e-12 -8.000000401714447e-13 PASS
Stress (12) 4.104860918000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.104860918000000e-19 PASS
Stress (13) -1.242669266000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.242669266000000e-18 PASS
Stress (21) 4.104860918000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.104860918000000e-19 PASS
Stress (22) -5.654916890000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -8.000000401714447e-13 PASS
Stress (23) -3.695460070000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.695460070000000e-20 PASS
Stress (31) -1.242669266000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.242669266000000e-18 PASS
Stress (32) -3.695460070000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.695460070000000e-20 PASS
Stress (33) -5.654916888000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -7.999999317512274e-13 PASS
Compare to other inputs