@IF DO_PERIODIC @SET MY_POTENTIAL_TYPE MIX_CL_TRUNC @ENDIF &XC &XC_FUNCTIONAL &HYB_GGA_XC_WB97X_D SCALE 1.0E+0 _ALPHA 1.0E+0 _BETA -0.321208E+0 _COS0 5.53261E-01 _COS1 -1.16626E+00 _COS2 6.84409E+00 _COS3 -8.90640E+00 _COS4 0.0E0 _CSS0 1.15698e+00 _CSS1 -3.31669e+00 _CSS2 6.27265e+00 _CSS3 -4.51464e+00 _CSS4 0.0E0 _CX0 2.51767e-01 _CX1 1.57375e-00 _CX2 -5.26624e+00 _CX3 6.74313e+00 _CX4 0.0E0 _OMEGA 3.00000000E-001 &END HYB_GGA_XC_WB97X_D &END XC_FUNCTIONAL &HF &SCREENING EPS_SCHWARZ ${HF_EPS_SCHWARZ-1.0E-10} &END SCREENING &INTERACTION_POTENTIAL OMEGA 0.3 POTENTIAL_TYPE ${MY_POTENTIAL_TYPE-MIX_CL} SCALE_COULOMB 0.678792 SCALE_LONGRANGE 0.321208 # Adjust the cutoff radius according to your box sizes CUTOFF_RADIUS ${HF_CUTOFF_RADIUS-10.0} &END INTERACTION_POTENTIAL &END HF &WF_CORRELATION &RI_MP2 BLOCK_SIZE 1 &END RI_MP2 &INTEGRALS ERI_METHOD GPW &WFC_GPW # A smaller cutoff can be used to save computation time CUTOFF ${WFC_GPW_CUTOFF-300} REL_CUTOFF 50 &END &END INTEGRALS SCALE_T 0.581569 SCALE_S 0.477992 &END &END XC