diff --git a/input/methods.default b/input/methods.default index addaf23..d939b79 100644 --- a/input/methods.default +++ b/input/methods.default @@ -1,5 +1,5 @@ -# RHF UHF GHF ROHF - F F F F +# RHF UHF GHF ROHF HFB + F F F F F # MP2 MP3 F F # CCD pCCD DCD CCSD CCSD(T) diff --git a/input/options.default b/input/options.default index 22c469b..1a1be58 100644 --- a/input/options.default +++ b/input/options.default @@ -15,4 +15,6 @@ # ACFDT: AC Kx XBS F F T # BSE: phBSE phBSE2 ppBSE dBSE dTDA - F F F F T + F F F F T +# HFB: temperature sigma chem_pot_HF restart_HFB + 0.05 1.00 T F