<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>On Nov 20, 2010, at 1:53 AM, Nguyen Ngoc Ha wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Dear Deverlopers and CP2K Users,</div>
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<div>I would like to know the solvation model (SCRF) implemented in the cvs can be used with periodic system? </div></blockquote>no<br><blockquote type="cite">
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<div>Why I disable ATOM_LIST, the results are unchanged?</div>
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<div>And please give me some hints to set RADIUS parameter, I test for different values but I don't know which one is the best.</div>
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<div>I can not find any example to use this function, it seems this function is not frequently updated.</div></blockquote>It is very similar to the COSMO implementation (nothing to do with PCM in Gaussian, which is more complicated w.r.t the cavity).</div><div><br></div><div>Have a look at:</div><div><div>./QS/regtest-gpw-3/H2O-solv.inp</div><div>./QS/regtest-gpw-3/H+solv1.inp</div><div><br></div><div>Best-</div><div><br></div><blockquote type="cite">
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<div>Best regards,<br clear="all"><br>-- <br>Nguyen, Ngoc Ha<br>Hanoi National University of Education<br>Faculty of Chemistry<br>Department of Physical Chemistry<br>Tel: Office: 04/38330842<br>Home: 04/37891674<br>Mobile: 0989133436<br>
<a href="mailto:E-mail...@hnue.edu.vn">E-mai...@hnue.edu.vn</a><br></div><div><br class="webkit-block-placeholder"></div>
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