Input 02-neon_mpi.03-td_calc-kli_par_states.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Total energy -6.103801311000000e+01 -6.103815000000000e+01 1.400000000000000e-04 1.368900000002782e-04 PASS
Eigenvalue 5 -5.116800000000000e-02 -5.117000000000000e-02 2.000000000000000e-05 2.000000000002000e-06 PASS
Eigenvalue 6 -3.571900000000000e-02 -3.571900000000000e-02 2.000000000000000e-05 0.000000000000000e+00 PASS
Compare to other inputs