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<p style="margin-top:0;margin-bottom:0">Hello all,</p>
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<p style="margin-top:0;margin-bottom:0">I've been trying to run a GW calculation using the GWL package. I took a sample Si run from here: <a href="http://www.gwl-code.org/tutorial_gwl.pdf" class="OWAAutoLink" id="LPlnk229510" previewremoved="true">http://www.gwl-code.org/tutorial_gwl.pdf</a></p>
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<p style="margin-top:0;margin-bottom:0">However, on the step that involves executing pw4gww.x I get the error:</p>
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<p> Before initialize_fft_custom 15.000000000000000 1.0000000000000000 </p>
<p> 15 15 15</p>
<p> 15 15 15</p>
<p><br>
</p>
<p> Planes per process (custom) : nr3t = 15 nr3p = 15 ncplane = 225</p>
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<p> Proc/ planes cols G </p>
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<p> 1 15 121 1021</p>
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<p> GRID G to R 15 15 15</p>
<p> GRID G to R 511</p>
<p> * 1 * 121 /= 225</p>
<p><br>
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<p> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</p>
<p> Error in routine fft_type_set (7):</p>
<p> inconsistent number of sticks</p>
<p> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</p>
<p><br>
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<p> stopping ...</p>
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<p>From the output file I've managed to piece together that this error happens in the routine setup_exx_cus, specifically as it passes ex_cuss%fft_r2g to initialize_fft_custom. I noticed that this routine gets invoked twice, once for exx_cus%fft_g2r and once
for <font size="3">ex_cuss%fft_r2g. But in the initial call of </font><font size="3">setup_exx_cus, it passes a value for cutoff of 40.d0 Ryd that is then used by initialize_fft_custom for the fft_r2g structure. Is there a reason this cutoff is hard-coded
as 40? And if not, could it be the reason fft_type_set is getting the wrong number of sticks? </font></p>
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</font></p>
<p><font size="3">I'm not sure if there's a specific forum for GWL that I should be posting this in, but any help or guidance would be greatly appreciated. Thank you in advance for your time.</font></p>
<p><font size="3"><br>
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<p><font size="3">Best regards,</font></p>
<p><font size="3">Eric Suter</font></p>
<p><font size="3">University of Georgia</font></p>
<p><font size="3">Department of Physics and Astronomy</font></p>
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