Input 30-stress.02-gamma_point.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916850000000e-04 5.654916880000001e-04 2.830000000000000e-11 -3.000000096432809e-12 PASS
Pressure (GPa) 1.663734585000000e+01 1.663734593000000e+01 1.540000000000000e-07 -7.999999951380232e-08 PASS
Kinetic stress (11) 9.361514552000001e-03 9.361514553000000e-03 4.680000000000000e-11 -9.999986949615902e-13 PASS
Kinetic stress (12) 1.110223025000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-19 PASS
Kinetic stress (13) 5.273559367000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.273559367000000e-19 PASS
Kinetic stress (21) 1.110223025000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-19 PASS
Kinetic stress (22) 9.361514552000001e-03 9.361514554000000e-03 4.680000000000000e-11 -1.999999124646656e-12 PASS
Kinetic stress (23) 2.775557562000000e-19 0.000000000000000e+00 1.000000000000000e-15 2.775557562000000e-19 PASS
Kinetic stress (31) 5.273559367000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.273559367000000e-19 PASS
Kinetic stress (32) 2.775557562000000e-19 0.000000000000000e+00 1.000000000000000e-15 2.775557562000000e-19 PASS
Kinetic stress (33) 9.361514552000001e-03 9.361514553000000e-03 4.680000000000000e-11 -9.999986949615902e-13 PASS
Hartree stress (11) 8.860627344000000e-04 8.860627345999999e-04 4.430000000000000e-12 -1.999999558327525e-13 PASS
Hartree stress (12) -2.250132001000000e-19 0.000000000000000e+00 1.000000000000000e-15 -2.250132001000000e-19 PASS
Hartree stress (13) -5.521796322000000e-21 0.000000000000000e+00 1.000000000000000e-15 -5.521796322000000e-21 PASS
Hartree stress (21) -2.250132001000000e-19 0.000000000000000e+00 1.000000000000000e-15 -2.250132001000000e-19 PASS
Hartree stress (22) 8.860627344000000e-04 8.860627345999999e-04 4.430000000000000e-12 -1.999999558327525e-13 PASS
Hartree stress (23) -1.849801768000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.849801768000000e-20 PASS
Hartree stress (31) -5.521796322000000e-21 0.000000000000000e+00 1.000000000000000e-15 -5.521796322000000e-21 PASS
Hartree stress (32) -1.849801768000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.849801768000000e-20 PASS
Hartree stress (33) 8.860627344000000e-04 8.860627345999999e-04 4.430000000000000e-12 -1.999999558327525e-13 PASS
XC stress (11) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
XC stress (12) -2.336942726000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.336942726000000e-20 PASS
XC stress (13) -2.944095942000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.944095942000000e-20 PASS
XC stress (21) -2.336942726000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.336942726000000e-20 PASS
XC stress (22) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
XC stress (23) -5.222593395000000e-21 0.000000000000000e+00 1.000000000000000e-15 -5.222593395000000e-21 PASS
XC stress (31) -2.944095942000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.944095942000000e-20 PASS
XC stress (32) -5.222593395000000e-21 0.000000000000000e+00 1.000000000000000e-15 -5.222593395000000e-21 PASS
XC stress (33) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -4.559343973000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.559343973000000e-19 PASS
Ion-ion stress (13) 5.974689174000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.974689174000000e-20 PASS
Ion-ion stress (21) -4.559479503000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.559479503000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -1.303989486000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.303989486000000e-19 PASS
Ion-ion stress (31) 5.974520406000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.974520406000000e-20 PASS
Ion-ion stress (32) -1.303989023000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.303989023000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916852000000e-04 -5.654916880999999e-04 5.280000000000000e-12 2.899999901675998e-12 PASS
Stress (12) -3.758942015000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.758942015000000e-19 PASS
Stress (13) -8.135043476000000e-19 0.000000000000000e+00 1.000000000000000e-15 -8.135043476000000e-19 PASS
Stress (21) -3.758806486000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.758806486000000e-19 PASS
Stress (22) -5.654916852000000e-04 -5.654916881999999e-04 4.950000000000000e-12 2.999999879592374e-12 PASS
Stress (23) 7.398831990000000e-20 0.000000000000000e+00 1.000000000000000e-15 7.398831990000000e-20 PASS
Stress (31) -8.135026599000000e-19 0.000000000000000e+00 1.000000000000000e-15 -8.135026599000000e-19 PASS
Stress (32) 7.398827361000000e-20 0.000000000000000e+00 1.000000000000000e-15 7.398827361000000e-20 PASS
Stress (33) -5.654916854000000e-04 -5.654916880000001e-04 5.060000000000000e-12 2.600000076347087e-12 PASS
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