<div dir="ltr">Thank you. Maybe I will give it a try in future. </div><div class="gmail_extra"><br><div class="gmail_quote">2015-02-11 15:57 GMT-05:00 Teodoro Laino <span dir="ltr"><<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word">it makes sense.. you can try to implement that.<div><div class="h5"><div><br><div><blockquote type="cite"><div>On 11 Feb 2015, at 17:17, Xiao Hang <<a href="mailto:xiaoh...@gmail.com" target="_blank">xiaoh...@gmail.com</a>> wrote:</div><br><div><div dir="ltr">Hi Teodoro,<div><br></div><div>Thank you for your quick reply. That's kind of pity that these functions are not <span style="font-size:15.75px">implemented in CP2K. But I still have a question. Is it hard to implement or meaningless to do so (semi empirical methods are not suitable to deal with polarization induced by external electric field)?</span></div><div><span style="font-size:15.75px"><br></span></div><div><span style="font-size:15.75px">Best,</span></div><div><span style="font-size:15.75px">Hang</span></div></div><div class="gmail_extra"><br><div class="gmail_quote">2015-02-11 2:05 GMT-05:00 Teodoro Laino <span dir="ltr"><<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word">simply.. they are not implemented.<div><br><div><div><blockquote type="cite"><span><div>On 10 Feb 2015, at 23:35, Hang Xiao <<a href="mailto:xiaoh...@gmail.com" target="_blank">xiaoh...@gmail.com</a>> wrote:</div><br></span><div><span><div dir="ltr">Hi,<div><br></div><div>I am trying to apply external electric field to semi-empirical or DFTB calculations. But it does not work. It seems the test system (a OH ion) does not feel the electric field. The input files are uploaded as attachment. Can you tell me what I'm doing wrong? </div><div><br></div><div>Thank you.</div><div>Hang </div></div><div><br></div>
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