Adjust tolerances

This commit is contained in:
Matthias Krack 2022-08-08 15:30:47 +02:00
parent e985c5b77f
commit 11eb9ba679

View file

@ -21,7 +21,7 @@ c8_broy_gapw_all_xashh.inp 1 2e-11 -
# different scf_env
CO_xastpfh_gsot.inp 1 8e-14 -79.09997113686542
# XAS TP choice of core occ from input
CO_xastpflex.inp 1 8e-14 -104.77564814878426
CO_xastpflex.inp 1 1e-13 -104.77564814878426
CO_xastpflex_c0.3l0.7.inp 1 1e-05 -96.350590808933305
CO_xastpflex_c0.3.inp 1 8e-14 -96.243337525982160
CO_xastpflex_c0.3.inp 1 1e-13 -96.243337525982160
#EOF