Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772401e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.763922672485933e-11 PASS
Energy [step 20] -3.184088237669079e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.662937034387141e-11 PASS
Multipoles [step 0] -1.207048735862956e-03 -1.211520628226222e-03 5.140000000000000e-06 4.471892363265778e-06 PASS
Multipoles [step 20] -2.020313260610175e+00 -2.020315146839614e+00 5.140000000000000e-06 1.886229439751475e-06 PASS
Compare to other inputs