Input 30-stress.02-gamma_point.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_intel-2023a_serial_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) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) -7.771561172000000e-19 0.000000000000000e+00 1.000000000000000e-15 -7.771561172000000e-19 PASS
Kinetic stress (13) 4.718447855000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.718447855000000e-19 PASS
Kinetic stress (21) -7.771561172000000e-19 0.000000000000000e+00 1.000000000000000e-15 -7.771561172000000e-19 PASS
Kinetic stress (22) 9.361514554000000e-03 9.361514554000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (23) -3.330669074000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.330669074000000e-19 PASS
Kinetic stress (31) 4.718447855000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.718447855000000e-19 PASS
Kinetic stress (32) -3.330669074000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.330669074000000e-19 PASS
Kinetic stress (33) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Hartree stress (11) 8.860627347000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000863365935e-13 PASS
Hartree stress (12) -3.608493896000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.608493896000000e-19 PASS
Hartree stress (13) 1.435667044000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.435667044000000e-20 PASS
Hartree stress (21) -3.608493896000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.608493896000000e-19 PASS
Hartree stress (22) 8.860627347000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000863365935e-13 PASS
Hartree stress (23) 3.865257425000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.865257425000000e-21 PASS
Hartree stress (31) 1.435667044000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.435667044000000e-20 PASS
Hartree stress (32) 3.865257425000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.865257425000000e-21 PASS
Hartree stress (33) 8.860627347000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000863365935e-13 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) 1.568154447000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.568154447000000e-20 PASS
XC stress (13) 3.996767313000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.996767313000000e-20 PASS
XC stress (21) 1.568154447000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.568154447000000e-20 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -1.363934803000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.363934803000000e-20 PASS
XC stress (31) 3.996767313000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.996767313000000e-20 PASS
XC stress (32) -1.363934803000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.363934803000000e-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) -4.523568278000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568278000000e-19 PASS
Ion-ion stress (13) 8.918692209000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918692209000000e-20 PASS
Ion-ion stress (21) -4.523568807000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568807000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) 8.963465368000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963465368000000e-20 PASS
Ion-ion stress (31) 8.918689560000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918689560000000e-20 PASS
Ion-ion stress (32) 8.963464045000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963464045000000e-20 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916883000000e-04 -5.654916880999999e-04 5.280000000000000e-12 -2.000000642529698e-13 PASS
Stress (12) 1.228164948000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.228164948000000e-18 PASS
Stress (13) -1.479844401000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.479844401000000e-18 PASS
Stress (21) 1.228165001000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.228165001000000e-18 PASS
Stress (22) -5.654916885000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -3.000000421693461e-13 PASS
Stress (23) 1.382978891000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.382978891000000e-19 PASS
Stress (31) -1.479844374000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.479844374000000e-18 PASS
Stress (32) 1.382979023000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.382979023000000e-19 PASS
Stress (33) -5.654916882000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -1.999999558327525e-13 PASS
Compare to other inputs