<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<p><font face="Times New Roman">As mentioned, you can keep increasing
NMATMAX until the "WARNING: RKmax reduced due to NMATMAX"
message goes away.</font></p>
<p><font face="Times New Roman">However, a trick I found, is to use
"x lapw1 -nmat_only":</font></p>
<p><font face="Times New Roman"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08134.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08134.html</a><br>
</font></p>
<p><font face="Times New Roman">Although, keep in mind that the
value you set for NMATMAX depends on the amount of physical free
RAM your computer has, which is why it is best to set a value
corresponding to less than the maximum amount of RAM your system
has. If you set it higher than the amount free memory, you
might start getting virtual memory errors or you calculation
might become very very slow when your system tries to compensate
for the lack of fast RAM by caching memory to the slow hard disk
drive.<br>
</font></p>
<div class="moz-cite-prefix">On 11/6/2017 3:41 AM, Lyudmila
Dobysheva wrote:<br>
</div>
<blockquote type="cite"
cite="mid:1509964907.363950422@f511.i.mail.ru">
<blockquote type="cite">
<pre wrap=""> 6 Nov 2017, 14:37 +04:00 оfrom chin Sabsu <a class="moz-txt-link-rfc2396E" href="mailto:chinsabsu@yahoo.in"><chinsabsu@yahoo.in></a>:
Original RKMAX was 7.0 with NMATMAX (NUM) up to 25000 (8000) and the output is:
:RKM : MATRIX SIZE 24995LOs: 10 RKM= 5.68 WEIGHT= 1.00 PGR:
Original RKMAX was 7.0 with NMATMAX (NUM) was 19000 (6000) and the output is:
:RKM : MATRIX SIZE 18985LOs: 10 RKM= 5.18 WEIGHT= 1.00 PGR:
</pre>
</blockquote>
<pre wrap="">
So you can see that rkm is actually increasing with your nmatmax. Either reduce rkmax or further increase the parameter.
</pre>
<blockquote type="cite">
<pre wrap="">On Monday, 6 November 2017 12:22 AM, chin Sabsu <a class="moz-txt-link-rfc2396E" href="mailto:chinsabsu@yahoo.in"><chinsabsu@yahoo.in></a> wrote:
Dear Sir,
I am running the O2 molecule (F-cell) on an i5desktop with 8GM memory, Ubuntu 16.04, Wien2k_17.1.
I am getting the error: :WARN : WARNING: RKmax reduced due to NMATMAX
After scratching the mailing list I supposed to overcome this issue if I increase NMATMAX and NUM value but it also not helpful.
My default NMATMAX (NUM) was 19000 (6000) I increased NMATMAX (NUM) up to 25000 (8000) but still getting the same warning.
Please help me.
Cell size is 15Ang x 18 Ang with one k-point.
Thanks in Advance!
Regards
Chin
_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<pre wrap="">
Lyudmila
_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<br>
</body>
</html>