Input 30-stress.02-gamma_point.inp

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478910000000e-04 5.662478850000000e-04 2.830000000000000e-11 5.999999976025183e-12 PASS
Pressure (GPa) 1.665959419000000e+01 1.665959420000000e+01 8.330000000000000e-07 -1.000000082740371e-08 PASS
Kinetic stress (11) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (12) -9.992007222000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576266894277800e-15 PASS
Kinetic stress (13) 1.137978600000000e-18 -8.541147970000002e-16 5.350000000000000e-15 8.552527756000001e-16 PASS
Kinetic stress (21) -9.992007222000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576266894277800e-15 PASS
Kinetic stress (22) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (23) -8.881784197000001e-19 -4.920391895000000e-16 6.550000000000000e-15 4.911510110803000e-16 PASS
Kinetic stress (31) 1.137978600000000e-18 -8.541147970000002e-16 5.350000000000000e-15 8.552527756000001e-16 PASS
Kinetic stress (32) -8.881784197000001e-19 -4.920391895000000e-16 6.550000000000000e-15 4.911510110803000e-16 PASS
Kinetic stress (33) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Hartree stress (11) 8.859962916000000e-04 8.859962924000001e-04 4.430000000000000e-12 -8.000000401714447e-13 PASS
Hartree stress (12) 2.013452285000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.013452285000000e-20 PASS
Hartree stress (13) -3.070934524000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.070934524000000e-20 PASS
Hartree stress (21) 2.013452285000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.013452285000000e-20 PASS
Hartree stress (22) 8.859962916000000e-04 8.859962924000001e-04 4.430000000000000e-12 -8.000000401714447e-13 PASS
Hartree stress (23) 1.070412717000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.070412717000000e-20 PASS
Hartree stress (31) -3.070934524000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.070934524000000e-20 PASS
Hartree stress (32) 1.070412717000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.070412717000000e-20 PASS
Hartree stress (33) 8.859962916000000e-04 8.859962924000001e-04 4.430000000000000e-12 -8.000000401714447e-13 PASS
XC stress (11) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (12) -2.729857419000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.729857419000000e-20 PASS
XC stress (13) -2.382912723000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.382912723000000e-20 PASS
XC stress (21) -2.729857419000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.729857419000000e-20 PASS
XC stress (22) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (23) 3.252633671000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.252633671000000e-21 PASS
XC stress (31) -2.382912723000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.382912723000000e-20 PASS
XC stress (32) 3.252633671000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.252633671000000e-21 PASS
XC stress (33) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-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) -5.662478908000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -5.200000044273956e-12 PASS
Stress (12) 2.041423591000000e-18 9.677328992000001e-16 1.060000000000000e-15 -9.656914756090001e-16 PASS
Stress (13) -1.100938398000000e-18 1.702185288000000e-15 1.030000000000000e-14 -1.703286226398000e-15 PASS
Stress (21) 2.041423591000000e-18 9.677329061999999e-16 1.060000000000000e-15 -9.656914826089999e-16 PASS
Stress (22) -5.662478911000000e-04 -5.662478852000001e-04 9.570000000000001e-12 -5.899999889688590e-12 PASS
Stress (23) 8.016418581000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.173196813141900e-15 PASS
Stress (31) -1.100938398000000e-18 1.702185288000000e-15 1.030000000000000e-14 -1.703286226398000e-15 PASS
Stress (32) 8.016418581000000e-19 1.173998455000000e-15 1.270000000000000e-14 -1.173196813141900e-15 PASS
Stress (33) -5.662478906000000e-04 -5.662478851000000e-04 9.680000000000001e-12 -5.499999978023085e-12 PASS
Compare to other inputs