From af8492cead3a638ab70951d636b6c5c017bdd45a Mon Sep 17 00:00:00 2001 From: Mauricio Rodriguez-Mayorga Date: Wed, 12 Feb 2025 22:46:56 +0100 Subject: [PATCH] Updated methods.default and options.default --- input/methods.default | 4 ++-- input/options.default | 4 +++- 2 files changed, 5 insertions(+), 3 deletions(-) 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