diff --git a/tests/ATOM/regtest-2/He_4.inp b/tests/ATOM/regtest-2/He_4.inp index 6122493262..098304ca35 100644 --- a/tests/ATOM/regtest-2/He_4.inp +++ b/tests/ATOM/regtest-2/He_4.inp @@ -8,11 +8,17 @@ COULOMB_INTEGRALS ANALYTIC EXCHANGE_INTEGRALS ANALYTIC &METHOD - METHOD_TYPE UKS - &XC - &XC_FUNCTIONAL TPSS - &END - &END + METHOD_TYPE UKS + &XC + &XC_FUNCTIONAL + &LIBXC + FUNCTIONAL MGGA_X_TPSS + &END LIBXC + &LIBXC + FUNCTIONAL MGGA_C_TPSS + &END LIBXC + &END XC_FUNCTIONAL + &END XC &END METHOD &AE_BASIS BASIS_TYPE CONTRACTED_GTO diff --git a/tests/QS/regtest-gpw-2-3/H2O-tpss_lsd.inp b/tests/QS/regtest-gpw-2-3/H2O-tpss_lsd.inp index 361c3078f3..1296e8e4cb 100644 --- a/tests/QS/regtest-gpw-2-3/H2O-tpss_lsd.inp +++ b/tests/QS/regtest-gpw-2-3/H2O-tpss_lsd.inp @@ -17,8 +17,12 @@ DENSITY_SMOOTH_CUTOFF_RANGE 0 FUNCTIONAL_ROUTINE NEW &XC_FUNCTIONAL - &TPSS - &END TPSS + &LIBXC + FUNCTIONAL MGGA_X_TPSS + &END LIBXC + &LIBXC + FUNCTIONAL MGGA_C_TPSS + &END LIBXC &END XC_FUNCTIONAL &XC_GRID XC_DERIV NN50_SMOOTH