Input 30-stress.01-independent.inp

Commits > Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad > Run foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Stress (11) 6.603873260000000e-03 6.671558669000000e-03 1.100000000000000e-04 -6.768540899999929e-05 PASS
Stress (12) -6.736034784000000e-05 -4.361244986000000e-05 1.100000000000000e-04 -2.374789798000000e-05 PASS
Stress (13) -2.452868099000000e-05 7.598055504000001e-05 1.100000000000000e-04 -1.005092360300000e-04 PASS
Stress (21) -6.736034784000000e-05 -4.361244986000000e-05 1.100000000000000e-04 -2.374789798000000e-05 PASS
Stress (22) 6.686848901000000e-03 6.667633748000000e-03 1.100000000000000e-04 1.921515300000020e-05 PASS
Stress (23) -5.132191051000000e-05 5.175163974000000e-05 1.100000000000000e-04 -1.030735502500000e-04 PASS
Stress (31) -2.452868099000000e-05 7.598055504000001e-05 1.100000000000000e-04 -1.005092360300000e-04 PASS
Stress (32) -5.132191051000000e-05 5.175163974000000e-05 1.100000000000000e-04 -1.030735502500000e-04 PASS
Stress (33) 6.578725129000000e-03 6.630922320000000e-03 1.100000000000000e-04 -5.219719100000002e-05 PASS
Pressure (H/b^3) -6.623149100000000e-03 -6.656704910000000e-03 1.100000000000000e-04 3.355581000000045e-05 PASS
Pressure (GPa) -1.948598449700000e+02 -1.958470915200000e+02 1.100000000000000e-04 9.872465499999805e-01 FAIL
Kinetic stress (11) 1.050163768000000e-02 1.050163768000000e-02 5.250000000000000e-11 -1.734723475976807e-18 PASS
Kinetic stress (12) -4.867423131000000e-14 7.178671366000000e-05 1.000000000000000e-04 -7.178671370867423e-05 PASS
Kinetic stress (13) -2.377509301000000e-14 -5.529174315000000e-05 1.000000000000000e-04 5.529174312622491e-05 PASS
Kinetic stress (21) -4.867423131000000e-14 7.178671366000000e-05 1.000000000000000e-04 -7.178671370867423e-05 PASS
Kinetic stress (22) 1.050163768000000e-02 1.050163768000000e-02 5.250000000000000e-11 -1.734723475976807e-18 PASS
Kinetic stress (23) 3.468791920000000e-14 6.562294731999999e-05 1.000000000000000e-04 -6.562294728531207e-05 PASS
Kinetic stress (31) -2.377509301000000e-14 -5.529174315000000e-05 1.000000000000000e-04 5.529174312622491e-05 PASS
Kinetic stress (32) 3.468791920000000e-14 6.562294731999999e-05 1.000000000000000e-04 -6.562294728531207e-05 PASS
Kinetic stress (33) 1.050163768000000e-02 1.050163768000000e-02 5.250000000000000e-11 -1.734723475976807e-18 PASS
Hartree stress (11) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Hartree stress (12) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Hartree stress (13) 0.000000000000000e+00 -6.586250444000000e-05 1.000000000000000e-04 6.586250444000000e-05 PASS
Hartree stress (21) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Hartree stress (22) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Hartree stress (23) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Hartree stress (31) 0.000000000000000e+00 -6.586250444000000e-05 1.000000000000000e-04 6.586250444000000e-05 PASS
Hartree stress (32) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Hartree stress (33) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (11) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (12) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (13) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (21) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (22) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (23) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (31) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (32) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
XC stress (33) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Pseudopotential stress (11) 7.465789711000000e-03 6.049504587000000e-03 1.000000000000000e-04 1.416285124000000e-03 FAIL
Pseudopotential stress (12) -1.250721748000000e-15 -9.211717667000001e-04 1.000000000000000e-04 9.211717666987493e-04 FAIL
Pseudopotential stress (13) 4.060779490000000e-16 5.161728500000000e-04 1.000000000000000e-04 -5.161728499995940e-04 FAIL
Pseudopotential stress (21) -1.250721748000000e-15 1.460134380000000e-04 1.000000000000000e-04 -1.460134380012507e-04 FAIL
Pseudopotential stress (22) 7.465789711000000e-03 5.097509393000000e-03 1.000000000000000e-04 2.368280318000000e-03 FAIL
Pseudopotential stress (23) -5.247219326000000e-15 -1.361808861000000e-03 1.000000000000000e-04 1.361808860994753e-03 FAIL
Pseudopotential stress (31) 4.060779490000000e-16 -8.051288476000000e-05 1.000000000000000e-04 8.051288476040607e-05 PASS
Pseudopotential stress (32) -5.247219326000000e-15 2.093952519000000e-04 1.000000000000000e-04 -2.093952519052472e-04 FAIL
Pseudopotential stress (33) 7.465789711000000e-03 5.499784882999999e-03 1.000000000000000e-04 1.966004828000001e-03 FAIL
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -4.559343973000000e-19 -4.261232943000000e-19 1.360000000000000e-19 -2.981110299999997e-20 PASS
Ion-ion stress (13) 5.974689174000000e-20 1.081820885000000e-19 5.330000000000000e-20 -4.843519676000001e-20 PASS
Ion-ion stress (21) -4.559479503000000e-19 -4.261309377000000e-19 1.360000000000000e-19 -2.981701259999993e-20 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 3.016593705000000e-20 1.770000000000000e-19 -1.605648856500000e-19 PASS
Ion-ion stress (31) 5.974520406000000e-20 1.081804141000000e-19 5.330000000000000e-20 -4.843521004000000e-20 PASS
Ion-ion stress (32) -1.303989023000000e-19 3.015916080000000e-20 1.770000000000000e-19 -1.605580631000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Compare to other inputs