<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">too few information to get any type of help.. sorry..<div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 13 May 2015, at 19:58, Linda Sundarti <<a href="mailto:linda...@gmail.com" class="">linda...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><span class="_5yl5" data-reactid=".c2.$mid=11431539678967=2e8f20efb44112bf143.2:0.0.0.0.0"><br class="">Hello
everybody..<br class="">I have a problem when running my model in QMMM. <br class="">My model consist of two
molecule that connected by ionic interaction, whereas I have used LSD
parameter in my file input. <br class="">This is some part of my file input :
<br class=""><br class=""> &DFT<br class=""> BASIS_SET_FILE_NAME gth_basis_sets<br class=""> POTENTIAL_FILE_NAME gth_potentials<br class=""> LSD<br class=""> &MGRID<br class=""> CUTOFF 500<br class=""> REL_CUTOFF 50<br class=""> &END MGRID<br class=""> &QS<br class=""> EPS_DEFAULT 1.0E-12<br class=""> WF_INTERPOLATION PS<br class=""> EXTRAPOLATION_ORDER 3<br class=""> &END QS<br class=""> &SCF<br class=""> SCF_GUESS RANDOM<br class=""> &OT ON<br class=""> MINIMIZER DIIS<br class=""> &END OT<br class=""> &PRINT<br class=""> &RESTART OFF<br class=""> &END<br class=""> &END<br class=""> &END SCF<br class=""><br class="">Please help me...<br class="">Thanks...<br class=""></span></div><div class=""><br class="webkit-block-placeholder"></div>
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