<div dir="ltr"><div>Thanks Prof. Hutter for your reply. <br></div><div>We have CP2K 7.1.0 installed in our main frame.</div><div><br></div><div>Is the use of these actinide files compatible with cp2k 7.1.0 or do I need to compile <br></div><div>cp2k-2022.1?</div><div><br></div><div>Regards</div><div>Niharendu Choudhury<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jul 26, 2022 at 2:04 PM Jürg Hutter <<a href="mailto:hutter@chem.uzh.ch">hutter@chem.uzh.ch</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi<br>
<br>
have a look in BASIS_MOLOPT_AcPP1 in the data directory.<br>
<br>
regards<br>
<br>
Juerg Hutter<br>
<br>
________________________________________<br>
From: <a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> on behalf of Niharendu Choudhury <<a href="mailto:niharc2007@gmail.com" target="_blank">niharc2007@gmail.com</a>><br>
Sent: Tuesday, July 26, 2022 8:18 AM<br>
To: cp2k<br>
Subject: [CP2K:17383] Basis sets and potentials for Actinides<br>
<br>
Are the basis sets and potentials for actinides e.g. U, Pu etc available?<br>
<br>
It is not included in the CP2K distribution.<br>
<br>
Can anybody help me in this matter?<br>
<br>
Regards<br>
N. Choudhury<br>
<br>
--<br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%2Bunsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a><mailto:<a href="mailto:cp2k%2Bunsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/5dc8bf25-b135-4abf-8935-a3fe61bfe94fn%40googlegroups.com" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/5dc8bf25-b135-4abf-8935-a3fe61bfe94fn%40googlegroups.com</a><<a href="https://groups.google.com/d/msgid/cp2k/5dc8bf25-b135-4abf-8935-a3fe61bfe94fn%40googlegroups.com?utm_medium=email&utm_source=footer" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/5dc8bf25-b135-4abf-8935-a3fe61bfe94fn%40googlegroups.com?utm_medium=email&utm_source=footer</a>>.<br>
<br>
-- <br>
You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br>
To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/Fq7KIFMXgLg/unsubscribe" rel="noreferrer" target="_blank">https://groups.google.com/d/topic/cp2k/Fq7KIFMXgLg/unsubscribe</a>.<br>
To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k%2Bunsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ZR0P278MB0759E59A07082EAE0812E9D99F949%40ZR0P278MB0759.CHEP278.PROD.OUTLOOK.COM" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/ZR0P278MB0759E59A07082EAE0812E9D99F949%40ZR0P278MB0759.CHEP278.PROD.OUTLOOK.COM</a>.<br>
</blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><font size="4" face="garamond, serif">---------------------------------------------------------<br>Dr. Niharendu Choudhury <br></font><div><font size="4" face="garamond, serif">Scientific Officer <br></font></div><div><font size="4" face="garamond, serif">Theoretical Chemistry Section</font></div>
<div><font size="4" face="garamond, serif">Chemistry Group</font></div><div><font size="4" face="garamond, serif">Bhabha Atomic Research Centre</font></div><div><font size="4" face="garamond, serif">Mumbai- 400 085, India.</font></div>
<div><font size="4" face="garamond, serif">---------------------------------------------------------</font></div><div><font size="4" face="garamond, serif">Ph: Off: +91-22-2559 5015<br></font></div>
<div><font size="4" face="garamond, serif">Home : +91-22-2552 7832</font></div><div><font size="4" face="garamond, serif">Official email: <a href="mailto:nihcho@barc.gov.in" target="_blank">nihcho@barc.gov.in</a></font></div></div></div>
<p></p>
-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CALFRt-E-6x%3DYwpPyu%3DFwiqhrwCpy1xncuzqynqi_2_JeW7Jc%3DA%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CALFRt-E-6x%3DYwpPyu%3DFwiqhrwCpy1xncuzqynqi_2_JeW7Jc%3DA%40mail.gmail.com</a>.<br />