Input 01-casida.07-casida_elpa.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| 1st eps-diff E | 3.007001490000000e-01 | 3.007001490000000e-01 | 1.500000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd eps-diff E | 3.537266430000000e-01 | 3.537266430000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st eps-diff f | 9.005786300000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-08 | 9.005786300000000e-22 | PASS |
| 7th eps-diff f | 4.382529760000000e-23 | 0.000000000000000e+00 | 1.000000000000000e-08 | 4.382529760000000e-23 | PASS |
| 1st Petersilka E | 3.449651910000000e-01 | 3.449651910000000e-01 | 1.720000000000000e-08 | 0.000000000000000e+00 | PASS |
| 2nd Petersilka E | 3.449651910000000e-01 | 3.449651910000000e-01 | 1.720000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd Petersilka E | 3.537266420000000e-01 | 3.537266420000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 9th Petersilka E | 4.543886450000000e-01 | 4.543886450000000e-01 | 2.270000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st Petersilka f | 1.033140890000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.033140890000000e-21 | PASS |
| 2nd Petersilka f | 1.033135780000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.033135780000000e-21 | PASS |
| 7th Petersilka f | 4.964738300000000e-02 | 4.964738300000000e-02 | 2.480000000000000e-08 | 0.000000000000000e+00 | PASS |
| 9th Petersilka f | 4.974314900000000e-02 | 4.974314900000000e-02 | 2.490000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st Casida E | 3.421134150000000e-01 | 3.421134150000000e-01 | 1.710000000000000e-08 | 0.000000000000000e+00 | PASS |
| 2nd Casida E | 3.537266420000000e-01 | 3.537266420000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd Casida E | 3.738606100000000e-01 | 3.738606100000000e-01 | 1.870000000000000e-07 | 0.000000000000000e+00 | PASS |
| 1st Casida f | 9.210146470000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-08 | 9.210146470000000e-22 | PASS |
| 3rd Casida f | 2.282025410000000e-29 | 0.000000000000000e+00 | 1.000000000000000e-08 | 2.282025410000000e-29 | PASS |
| 9th Casida f | 4.597214550000000e-02 | 4.597269200000000e-02 | 1.720000000000000e-06 | -5.465000000037801e-07 | PASS |
| 1st TDA E | 3.449651910000000e-01 | 3.449651910000000e-01 | 1.720000000000000e-08 | 0.000000000000000e+00 | PASS |
| 2nd TDA E | 3.537266420000000e-01 | 3.537266420000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd TDA E | 3.744336180000000e-01 | 3.744336180000000e-01 | 1.870000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st TDA f | 1.054812680000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.054812680000000e-21 | PASS |
| 3rd TDA f | 2.996779560000000e-29 | 0.000000000000000e+00 | 1.000000000000000e-08 | 2.996779560000000e-29 | PASS |
| 9th TDA f | 4.588068830000000e-02 | 4.588124680000000e-02 | 1.750000000000000e-06 | -5.584999999974638e-07 | PASS |