<div dir="ltr">dear all, <div> I am doing sapt calculation for simple dimers. i got some error like NAN in the energy ranges like below</div><div> <br clear="all"><div> E1pol                -900.26589879          ( -0.90026590E+03)           -564.9250      -2363.6481<br>
</div><div> E1exch               -259.09880207          ( -0.25909880E+03)           -162.5868       -680.2639</div><div> E1exch(S2)           -246.01615011          ( -0.24601615E+03)           -154.3773       -645.9154</div>
<div> E2ind(unc)          -5762.58747353          ( -0.57625875E+04)          -3616.0755     -15129.6734</div><div> E2ind                          NaN                           (  NaN)                     NaN             NaN</div>
<div> E2ind-exch                     NaN                         ( NaN)                    NaN             NaN</div><div> E2disp(unc)           271.84010983           (  0.27184011E+03)            170.5821        713.7162</div>
<div> E2disp                         NaN                              (NaN)                          NaN             NaN</div><div> E2disp-exch(unc)    -1477.38977150          ( -0.14773898E+04)           -927.0754      -3878.8868</div>
<div> E2disp-exch                    NaN                              (  NaN)                 NaN             NaN</div><div><br></div><div> E1tot               -1159.36470087          ( -0.11593647E+04)           -727.5118      -3043.9120</div>
<div> E2tot                          NaN                            (NaN)                 NaN             NaN</div><div> E1tot+E2tot                    NaN                            ( NaN)                 NaN             NaN</div>
<div><br></div><div style>please help me to correct the mistake</div><div><br></div><div style="font-family:verdana,sans-serif"><u><b><font color="#cc9933">UMADEVI PALANIVEL</font></b></u></div>
<div style="font-family:verdana,sans-serif">RESEARCH SCHOLAR,</div>
<div style="font-family:verdana,sans-serif">MOLECULAR QUANTUM MECHANICS LABORATORY, </div>
<div style="font-family:verdana,sans-serif">DEPARTMENT OF PHYSICS,</div>
<div style="font-family:verdana,sans-serif">BHARATHIAR UNIVERSITY,</div>
<div style="font-family:verdana,sans-serif">COIMBATORE<b>.</b></div>
<div style="font-family:verdana,sans-serif"><b></b> </div>
<div style="font-family:verdana,sans-serif"><font style="background-color:rgb(255,204,204)" color="#330033" size="1">
<p><b><i><u>REALITY IS FOR PEOPLE WHO CAN'T FACE SCIENCE FICTION.</u></i></b></p></font></div>
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