<p>Yes, my email was a little lazy, apologies.</p>
<p>On this general theme, two comments. First, fftw is certainly "better" than fftpack both in speed and (more importantly) accuracy. You may want to take some care when compiling fftw and set appropriate CFLAGS yourself. The configure options in fftw are a bit old and I do not think it is being updated. However, since this is only important in lapw2 it is not supercritical.</p>
<p>Second, be a little cautious about using the mkl interface. If you get them working then in my tests they are better. However, there have been bugs so older versions of the interface are broken.<br>
---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</p>
<div class="gmail_quote">On Aug 23, 2012 7:00 PM, "Gavin Abo" <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br type="attribution"></div>