<div dir="ltr"><div>Dear Professor Hutter,</div><div><br></div><div>Hi and thank you so much, it worked properly and fine.</div><div><br></div><div>With Best Regards.<br></div><br>On Monday, July 20, 2020 at 4:09:13 PM UTC+4:30, jgh wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi
<br>
<br>Please correct your input:
<br>
<br>BASIS_SET AUX cFIT9 --> BASIS_SET AUX_FIT cFIT9
<br>
<br>regards
<br>
<br>Juerg Hutter
<br>------------------------------<wbr>------------------------------<wbr>--
<br>Juerg Hutter Phone : ++41 44 635 4491
<br>Institut für Chemie C FAX : ++41 44 635 6838
<br>Universität Zürich E-mail: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="QtJWpSwHBAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">h...@chem.uzh.ch</a>
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<br>
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<br>From: "Mohammad Shakiba"
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<br>Date: 07/18/2020 07:41PM
<br>Subject: [CP2K:13641] "Automatic basis set generation not activated" Error
<br>
<br>Hello everyone,
<br>
<br>I tried to use ADMM method for hybrid functional but I face this error. I actually modified an input from /tests/regtest-admm-1 but it does not work for my structure which contains Cu, In, and Se. I really do not know why this happens. Can someone please help me to fix this issue? Thank you so much. I have attached my input below.
<br>
<br>
<br>
<br> *** WARNING in qs_environment.F:665 :: Automatic Generation of AUX_FIT *** *** basis. This is experimental code. ***
<br>
<br>
<br> *****************************<wbr>******************************<wbr>********************
<br> * _____ *
<br> * / \ *
<br> * [ABORT] *
<br> * \_____/ Automatic basis set generation not activated *
<br> * | *
<br> * O/| *
<br> * /| | *
<br> * / \ auto_basis.F:374 *
<br> *****************************<wbr>******************************<wbr>********************
<br>
<br>
<br>
<br>
<br>
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<br>
<br>
<br>[attachment "test.inp" removed by Jürg Hutter/at/UZH]
<br></blockquote></div>