Input 30-stress.02-gamma_point.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916900000000e-04 5.654916880000001e-04 2.830000000000000e-11 1.999999883588177e-12 PASS
Pressure (GPa) 1.663734597000000e+01 1.663734593000000e+01 1.540000000000000e-07 3.999999975690116e-08 PASS
Kinetic stress (11) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) -5.152128724000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.152128724000000e-19 PASS
Kinetic stress (13) -1.367829461000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.367829461000000e-18 PASS
Kinetic stress (21) -5.152128724000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.152128724000000e-19 PASS
Kinetic stress (22) 9.361514553000000e-03 9.361514554000000e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (23) 1.110223025000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-18 PASS
Kinetic stress (31) -1.367829461000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.367829461000000e-18 PASS
Kinetic stress (32) 1.110223025000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-18 PASS
Kinetic stress (33) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Hartree stress (11) 8.860627342000000e-04 8.860627345999999e-04 4.430000000000000e-12 -3.999999116655051e-13 PASS
Hartree stress (12) -8.337912445999999e-20 0.000000000000000e+00 1.000000000000000e-15 -8.337912445999999e-20 PASS
Hartree stress (13) -3.865257425000000e-21 0.000000000000000e+00 1.000000000000000e-15 -3.865257425000000e-21 PASS
Hartree stress (21) -8.337912445999999e-20 0.000000000000000e+00 1.000000000000000e-15 -8.337912445999999e-20 PASS
Hartree stress (22) 8.860627342000000e-04 8.860627345999999e-04 4.430000000000000e-12 -3.999999116655051e-13 PASS
Hartree stress (23) 1.849801768000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.849801768000000e-20 PASS
Hartree stress (31) -3.865257425000000e-21 0.000000000000000e+00 1.000000000000000e-15 -3.865257425000000e-21 PASS
Hartree stress (32) 1.849801768000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.849801768000000e-20 PASS
Hartree stress (33) 8.860627342000000e-04 8.860627345999999e-04 4.430000000000000e-12 -3.999999116655051e-13 PASS
XC stress (11) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
XC stress (12) -2.895433899000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.895433899000000e-20 PASS
XC stress (13) 1.267902443000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.267902443000000e-20 PASS
XC stress (21) -2.895433899000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.895433899000000e-20 PASS
XC stress (22) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
XC stress (23) 8.836882979999999e-21 0.000000000000000e+00 1.000000000000000e-15 8.836882979999999e-21 PASS
XC stress (31) 1.267902443000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.267902443000000e-20 PASS
XC stress (32) 8.836882979999999e-21 0.000000000000000e+00 1.000000000000000e-15 8.836882979999999e-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) -4.523568278000000e-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) -5.654916895000000e-04 -5.654916880999999e-04 5.280000000000000e-12 -1.400000016089920e-12 PASS
Stress (12) 9.546255371000001e-19 0.000000000000000e+00 1.000000000000000e-15 9.546255371000001e-19 PASS
Stress (13) 1.447301920000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.447301920000000e-18 PASS
Stress (21) 9.546255901000000e-19 0.000000000000000e+00 1.000000000000000e-15 9.546255901000000e-19 PASS
Stress (22) -5.654916897000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -1.500000102426513e-12 PASS
Stress (23) -1.124546047000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.124546047000000e-18 PASS
Stress (31) 1.447301946000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.447301946000000e-18 PASS
Stress (32) -1.124546034000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.124546034000000e-18 PASS
Stress (33) -5.654916894000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -1.399999907669702e-12 PASS
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