<div dir="ltr">Hi Prof Hutter,<div><br></div><div>I think Becke88 - Becke88_LR = Becke88_SR. </div><div>So, with Becke88 and Becke88_LR (scale -1), it should be Becke88_SR.</div><div><br></div><div>Correct me if I was wrong.</div><div><br></div><div>Thanks,</div><div>Yi</div><div><br>On Thursday, April 3, 2014 4:09:37 AM UTC-4, jgh wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi
<br>
<br>although it is possible to use this type of long-range corrected 
<br>hybrid functionals in CP2K, for the specific case you mention,
<br>CP2K is missing the GGA part Exsr (the short range exchange part).
<br>
<br>regards
<br>
<br>Juerg Hutter
<br> 
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<br>From: 姚懿 
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<br>Date: 04/03/2014 07:42AM
<br>Subject: [CP2K:5134] LC-BLYP functional
<br>
<br>Dear all,
<br>
<br>Is it possible to use lc-blyp functional describe in this paper in cp2k?
<br>
<br>
<br>H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, “Long-range correction scheme for generalized-gradient-<wbr>approximation exchange functionals,” J. Chem. Phys., 115 (2001) 3540-44.
<br>
<br>Thanks,
<br>Yi Yao
<br>
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