<div dir="auto"><div>That is not how Fortran works. a(1,je1) is not a single number when passed in a subroutine, it is an address. Therefore A(2) in the subroutine is a(2,je1) etc.</div><div dir="auto"><br></div><div dir="auto">Probably worth looking at some programming introductions via a web search...<br><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Wed, Oct 30, 2019, 08:15 Marcus Ekholm <<a href="mailto:marcus.ekholm@liu.se">marcus.ekholm@liu.se</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Hi!</div>
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I have a question on how lapw2 calculates the charge density in the interstitial region.
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Inside fourir.F (line 294 in version 19.1) we call setfft1 as:<br>
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CALL setfft1(n,iff1,iff2,iff3,a(1,je1),fft,keigen)<br>
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where a(1,je1) is a single number.<br>
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But the subroutine setfft1 expects A to be an array of a different size:<br>
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<span>!_REAL REAL*8 A(nmat)<br>
</span><span>!_COMPLEX COMPLEX*16 A(nmat)</span></div>
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and inside setfft1 we then loop over (some of) the elements in A, from 1 to n, to set the fft array.<br>
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Where do the elements A(2:n) in settfft1 come from? And in fourir.F why is only a(1, ...) passed to setfft1, why not a(2,...), etc ?</div>
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Best regards,<br>
Marcus<br>
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