<div dir="ltr"><p style="font-size: 11px; font-family: Menlo;">Dear all,</p><p style="font-size: 11px; font-family: Menlo;"><br></p><p style="font-size: 11px; font-family: Menlo;">How to control the exact-exchange? Is it sufficient to "FRACTION 0.30" to get 30% exact-exchange or I need to tune other parameters as well.</p><p style="font-size: 11px; font-family: Menlo;"><br></p><p style="font-size: 11px; font-family: Menlo;">##################################################</p><p style="font-size: 11px; font-family: Menlo;"> &XC</p>
<p style="font-size: 11px; font-family: Menlo;"> &XC_FUNCTIONAL</p>
<p style="font-size: 11px; font-family: Menlo;"> &LYP</p>
<p style="font-size: 11px; font-family: Menlo;"> SCALE_C 0.81</p>
<p style="font-size: 11px; font-family: Menlo;"> &END LYP</p>
<p style="font-size: 11px; font-family: Menlo;"> &BECKE88</p>
<p style="font-size: 11px; font-family: Menlo;"> SCALE_X 0.72</p>
<p style="font-size: 11px; font-family: Menlo;"> &END BECKE88</p>
<p style="font-size: 11px; font-family: Menlo;"> &VWN</p>
<p style="font-size: 11px; font-family: Menlo;"> FUNCTIONAL_TYPE VWN5</p>
<p style="font-size: 11px; font-family: Menlo;"> SCALE_C 0.19</p>
<p style="font-size: 11px; font-family: Menlo;"> &END VWN</p>
<p style="font-size: 11px; font-family: Menlo;"> &XALPHA</p>
<p style="font-size: 11px; font-family: Menlo;"> SCALE_X 0.08</p>
<p style="font-size: 11px; font-family: Menlo;"> &END XALPHA</p>
<p style="font-size: 11px; font-family: Menlo;"> &END XC_FUNCTIONAL</p>
<p style="font-size: 11px; font-family: Menlo;"> &HF</p>
<p style="font-size: 11px; font-family: Menlo;"> FRACTION 0.20</p>
<p style="font-size: 11px; font-family: Menlo;"> &SCREENING</p>
<p style="font-size: 11px; font-family: Menlo;"> EPS_SCHWARZ 1.0E-9</p>
<p style="font-size: 11px; font-family: Menlo;"> &END SCREENING</p>
<p style="font-size: 11px; font-family: Menlo;"> &INTERACTION_POTENTIAL</p>
<p style="font-size: 11px; font-family: Menlo;"> POTENTIAL_TYPE TRUNCATED</p>
<p style="font-size: 11px; font-family: Menlo;"> CUTOFF_RADIUS 3.00</p>
<p style="font-size: 11px; font-family: Menlo;"> T_C_G_DATA t_c_g.dat</p>
<p style="font-size: 11px; font-family: Menlo;"> &END INTERACTION_POTENTIAL</p>
<p style="font-size: 11px; font-family: Menlo;"> &MEMORY</p>
<p style="font-size: 11px; font-family: Menlo;"> MAX_MEMORY 64000</p>
<p style="font-size: 11px; font-family: Menlo;"> &END MEMORY</p>
<p style="font-size: 11px; font-family: Menlo;"> &END HF</p>
<p style="font-size: 11px; font-family: Menlo;"> &END XC</p><div>################################################</div><div><br></div><div>many regards</div><div>Arobendo</div></div>