<div dir="ltr">Thanks.  There's not a citation on the QS/METHOD section: <a href="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/QS.html#METHOD">https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/QS.html#METHOD</a><br><br>On Sunday, February 9, 2020 at 2:02:20 PM UTC-5, tkuehne wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div style="word-wrap:break-word">Please have a look at: <a href="https://pubs.acs.org/doi/abs/10.1021/jp110481m" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fpubs.acs.org%2Fdoi%2Fabs%2F10.1021%2Fjp110481m\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEMQaRKinnq5bxDDvn4wGmR-C0Z1Q';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fpubs.acs.org%2Fdoi%2Fabs%2F10.1021%2Fjp110481m\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEMQaRKinnq5bxDDvn4wGmR-C0Z1Q';return true;">https://pubs.acs.org/doi/<wbr>abs/10.1021/jp110481m</a><div>and references therein. </div><div><br></div><div>Cheers, </div><div>Thomas</div><div><br><div><blockquote type="cite"><div>Am 09.02.2020 um 18:04 schrieb MD Simulation <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="t7BB2FslFAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">mdsi...@gmail.com</a>>:</div><br><div><div dir="ltr">Is there a citation for the PNNL semiempirical?<div><br></div><div>Thanks</div></div><div><br></div>

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