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<p><font face="Times New Roman">You say that the ":WARN : WARNING:
RKmax reduced due to NMATMAX" message went away in the case.scf.
The MATRIX SIZE is quite a bit less than the 40000 that you set
for NMATMAX. So yes, it looks okay (correct) now. The 6.99 not
being exactly 7.0 is normal. As was said before on the mailing
list, it is not an issue [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14226.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14226.html</a>
].</font><br>
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<div class="moz-cite-prefix">On 11/6/2017 12:54 AM, sandeep Kumar
wrote:<br>
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<blockquote type="cite"
cite="mid:CAG4N5ykkY+tyLhxhrLF5=80-BAYQ5Ydy1HegVH_5LXWe-2zGnQ@mail.gmail.com">
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<div>Dear Dr. Gavin Abo and WIEN2k users,</div>
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<div>Thank you very much for your suggestions. I compile
siteconfigure as you suggested and I found there was no error
during SCF calculations. <span
style="font-family:Arial,sans-serif;font-size:12.8px"> </span><span
style="font-family:Arial,sans-serif;font-size:12.8px">I used
RKmax = 7.0</span><span
style="font-family:Arial,sans-serif;font-size:12.8px"> but I
got it 6.99. Is it correct now?</span></div>
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<div>:RKM: MATRIX SIZE 16869LOs:1064 RKM= 6.99 WEIGHT= 1.00
PGR:</div>
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<div>Thanks </div>
<div>Sandeep Kumar</div>
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