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<div>Thank you so much for your response.</div><div><br></div>
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On Sunday, May 23, 2021, 10:50:34 AM GMT+4:30, Peter Blaha <pblaha@theochem.tuwien.ac.at> wrote:
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<div><div dir="ltr">alpha is an input parameter (case.inhf) and you can set any value you want.<br clear="none">But make sure you have a good reason to set it to something specifically.<br clear="none"><div class="ydp1f66eb8eyqt1167868324" id="ydp1f66eb8eyqtfd54727"><br clear="none">Am 23.05.2021 um 08:17 schrieb <a shape="rect" href="mailto:hajar.nejatipoor@yahoo.com" rel="nofollow" target="_blank">hajar.nejatipoor@yahoo.com</a>:<br clear="none">> Hello,<br clear="none">> <br clear="none">> I have a question about hybrid functionals in Wien2k.<br clear="none">> As written in user guide, there are two possible choices for alpha <br clear="none">> parameter in LDA-Fock alpha hybrid functional, alpha=0.35 and alpha=0.5.<br clear="none">> I want to know, is it possible to select different alpha values in <br clear="none">> LDA-Fock alpha functional or not?<br clear="none">> <br clear="none">> Thank you for your response in advance.<br clear="none">> <br clear="none">> Bests</div><br clear="none">> <br clear="none">> _______________________________________________<br clear="none">> Wien mailing list<br clear="none">> <a shape="rect" href="mailto:Wien@zeus.theochem.tuwien.ac.at" rel="nofollow" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none">> <a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="nofollow" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">> SEARCH the MAILING-LIST at: <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="nofollow" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br clear="none">> <br clear="none"><br clear="none">-- <br clear="none">--------------------------------------------------------------------------<br clear="none">Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br clear="none">Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br clear="none">Email: <a shape="rect" href="mailto:blaha@theochem.tuwien.ac.at" rel="nofollow" target="_blank">blaha@theochem.tuwien.ac.at</a> WIEN2k: <a shape="rect" href="http://www.wien2k.at" rel="nofollow" target="_blank">http://www.wien2k.at</a><br clear="none">WWW: <a shape="rect" href="http://www.imc.tuwien.ac.at" rel="nofollow" target="_blank">http://www.imc.tuwien.ac.at</a><br clear="none">-------------------------------------------------------------------------<br clear="none">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a shape="rect" href="mailto:Wien@zeus.theochem.tuwien.ac.at" rel="nofollow" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="nofollow" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="nofollow" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><div class="ydp1f66eb8eyqt1167868324" id="ydp1f66eb8eyqtfd42044"><br clear="none"></div></div></div>
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