Input 30-stress.02-gamma_point.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478900000000e-04 5.662478850000000e-04 2.830000000000000e-11 4.999999980020986e-12 PASS
Pressure (GPa) 1.665959417000000e+01 1.665959420000000e+01 8.330000000000000e-07 -3.000000248221113e-08 PASS
Kinetic stress (11) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) -6.103136659000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.571162958341000e-15 PASS
Kinetic stress (13) 1.272359198000000e-15 -8.541147970000002e-16 5.350000000000000e-15 2.126473995000000e-15 PASS
Kinetic stress (21) -6.103136659000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.571162958341000e-15 PASS
Kinetic stress (22) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Kinetic stress (23) 5.455707175000000e-15 -4.920391895000000e-16 6.550000000000000e-15 5.947746364500000e-15 PASS
Kinetic stress (31) 1.272359198000000e-15 -8.541147970000002e-16 5.350000000000000e-15 2.126473995000000e-15 PASS
Kinetic stress (32) 5.455707175000000e-15 -4.920391895000000e-16 6.550000000000000e-15 5.947746364500000e-15 PASS
Kinetic stress (33) 9.361438596999999e-03 9.361438596000001e-03 4.680000000000000e-11 9.999986949615902e-13 PASS
Hartree stress (11) 8.859962925000000e-04 8.859962924000001e-04 4.430000000000000e-12 9.999997791637627e-14 PASS
Hartree stress (12) -1.694708326000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.694708326000000e-19 PASS
Hartree stress (13) -1.608224374000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.608224374000000e-21 PASS
Hartree stress (21) -1.694708326000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.694708326000000e-19 PASS
Hartree stress (22) 8.859962925000000e-04 8.859962924000001e-04 4.430000000000000e-12 9.999997791637627e-14 PASS
Hartree stress (23) 2.150555803000000e-21 0.000000000000000e+00 1.000000000000000e-15 2.150555803000000e-21 PASS
Hartree stress (31) -1.608224374000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.608224374000000e-21 PASS
Hartree stress (32) 2.150555803000000e-21 0.000000000000000e+00 1.000000000000000e-15 2.150555803000000e-21 PASS
Hartree stress (33) 8.859962925000000e-04 8.859962924000001e-04 4.430000000000000e-12 9.999997791637627e-14 PASS
XC stress (11) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) 6.770205700000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.770205700000000e-20 PASS
XC stress (13) 1.180090378000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.180090378000000e-19 PASS
XC stress (21) 6.770205700000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.770205700000000e-20 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) -2.385521658000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.385521658000000e-20 PASS
XC stress (31) 1.180090378000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.180090378000000e-19 PASS
XC stress (32) -2.385521658000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.385521658000000e-20 PASS
XC stress (33) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 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) -5.662478896000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -3.999999984016789e-12 PASS
Stress (12) 1.171972650000000e-17 9.677328992000001e-16 1.060000000000000e-15 -9.560131727000001e-16 PASS
Stress (13) -2.474492755000000e-15 1.702185288000000e-15 1.030000000000000e-14 -4.176678043000000e-15 PASS
Stress (21) 1.171972650000000e-17 9.677329061999999e-16 1.060000000000000e-15 -9.560131796999999e-16 PASS
Stress (22) -5.662478900000000e-04 -5.662478852000001e-04 8.640000000000000e-12 -4.799999915768016e-12 PASS
Stress (23) -1.033666461000000e-14 1.173998455000000e-15 1.270000000000000e-14 -1.151066306500000e-14 PASS
Stress (31) -2.474492755000000e-15 1.702185288000000e-15 1.030000000000000e-14 -4.176678043000000e-15 PASS
Stress (32) -1.033666461000000e-14 1.173998455000000e-15 1.270000000000000e-14 -1.151066306500000e-14 PASS
Stress (33) -5.662478900000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -4.900000002104610e-12 PASS
Compare to other inputs