Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478890000000e-04 |
5.662478850000000e-04 |
2.830000000000000e-11 |
3.999999984016789e-12 |
PASS |
| Pressure (GPa) |
1.665959413000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-7.000000223911229e-08 |
PASS |
| Kinetic stress (11) |
9.361438596999999e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
9.999986949615902e-13 |
PASS |
| Kinetic stress (12) |
-1.816067438000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.575450027562000e-15 |
PASS |
| Kinetic stress (13) |
2.293287610000000e-15 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
3.147402407000000e-15 |
PASS |
| Kinetic stress (21) |
-1.816067438000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.575450027562000e-15 |
PASS |
| Kinetic stress (22) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (23) |
-3.954381527000000e-15 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
-3.462342337500000e-15 |
PASS |
| Kinetic stress (31) |
2.293287610000000e-15 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
3.147402407000000e-15 |
PASS |
| Kinetic stress (32) |
-3.954381527000000e-15 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
-3.462342337500000e-15 |
PASS |
| Kinetic stress (33) |
9.361438596999999e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
9.999986949615902e-13 |
PASS |
| Hartree stress (11) |
8.859962929000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
4.999999980020986e-13 |
PASS |
| Hartree stress (12) |
2.208718529000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.208718529000000e-21 |
PASS |
| Hartree stress (13) |
1.297622136000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.297622136000000e-20 |
PASS |
| Hartree stress (21) |
2.208718529000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.208718529000000e-21 |
PASS |
| Hartree stress (22) |
8.859962929000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
4.999999980020986e-13 |
PASS |
| Hartree stress (23) |
1.435667044000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.435667044000000e-20 |
PASS |
| Hartree stress (31) |
1.297622136000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.297622136000000e-20 |
PASS |
| Hartree stress (32) |
1.435667044000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.435667044000000e-20 |
PASS |
| Hartree stress (33) |
8.859962929000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
4.999999980020986e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
3.124746894000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.124746894000000e-20 |
PASS |
| XC stress (13) |
-1.038589448000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.038589448000000e-20 |
PASS |
| XC stress (21) |
3.124746894000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.124746894000000e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
3.940609029000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.940609029000000e-20 |
PASS |
| XC stress (31) |
-1.038589448000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.038589448000000e-20 |
PASS |
| XC stress (32) |
3.940609029000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.940609029000000e-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) |
-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) |
-5.662478887000000e-04 |
-5.662478856000000e-04 |
8.850000000000000e-12 |
-3.099999965928968e-12 |
PASS |
| Stress (12) |
4.535342390000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.631975568100001e-16 |
PASS |
| Stress (13) |
-4.457383977000000e-15 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-6.159569265000000e-15 |
PASS |
| Stress (21) |
4.535342443000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.631975637570000e-16 |
PASS |
| Stress (22) |
-5.662478885000000e-04 |
-5.662478852000001e-04 |
8.640000000000000e-12 |
-3.299999921761720e-12 |
PASS |
| Stress (23) |
7.798966507000000e-15 |
1.173998455000000e-15 |
1.270000000000000e-14 |
6.624968052000000e-15 |
PASS |
| Stress (31) |
-4.457383977000000e-15 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-6.159569265000000e-15 |
PASS |
| Stress (32) |
7.798966507000000e-15 |
1.173998455000000e-15 |
1.270000000000000e-14 |
6.624968052000000e-15 |
PASS |
| Stress (33) |
-5.662478889000000e-04 |
-5.662478851000000e-04 |
8.800000000000000e-12 |
-3.800000028184036e-12 |
PASS |