<div dir="ltr">Hi Juerg<div><br></div><div>Is the k-point sampling already implemented in CP2K for standard DFT calculation with PBE functional?</div><div><br></div><div>Best regards,</div><div>Jiabo<br><br>On Monday, 7 December 2015 08:00:53 UTC, jgh  wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi
<br>
<br>k-point sampling is not available for hybrid functionals.
<br>
<br>regards
<br>
<br>Juerg
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<br>Date: 12/04/2015 03:56PM
<br>Subject: [CP2K:7217] k-point sampling for hybrid DFT functional
<br>
<br>Dear CP2K team,
<br>
<br>  I am wondering if the k-point sampling has been implemented in CP2K for hybrid DFT functionals, such as PBE0 and B3LYP?
<br>
<br>  Thanks.
<br>
<br>Hanning
<br>
<br>
<br>
<br>
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