1# 2# Numerics 3H2O-field-gopt.inp 4H2O-field-gopt-lsd.inp 5# extended GTH pseudopotentials 6H2O-field-gopt.inp 7# extended GTH pseudopotentials 8H2O-field-gopt-lsd.inp 9# 10H2O-field-gopt.inp 11# 12H2O-field-gopt-lsd.inp 13# 14H2O-field.inp 15# 16H2O-field-lsd.inp 17# improved BFGS and CELL_OPT, new defaults 18H2O-field-gopt.inp 19# improved BFGS and CELL_OPT, new defaults 20H2O-field-gopt-lsd.inp 21# stabilize BFGS with model Hessian 22H2O-field-gopt.inp 23# stabilize BFGS with model Hessian 24H2O-field-gopt-lsd.inp 25# more numerics 26H2O-field-gopt-lsd.inp 27H2O-field-gopt.inp 28# BFGS fix atoms parallel bug fix + tiny improvement 29H2O-field-gopt.inp 30# BFGS fix atoms parallel bug fix + tiny improvement 31H2O-field-gopt-lsd.inp 32# 33H2O-field-gopt.inp 34# new corrected implementation 35H2O-field-gopt-lsd.inp 36H2O-field-gopt.inp 37# change sign of e-field 38H2O-field-gopt.inp 39H2O-field-gopt-lsd.inp 40H2O-field.inp 41H2O-field-lsd.inp 42HF-field.inp 43HF-field-gopt.inp 44