[Wien] fourier coefficients in lapw2

[Laurence Marks]

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.

Probably worth looking at some programming introductions via a web search...

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Wed, Oct 30, 2019, 08:15 Marcus Ekholm <marcus.ekholm at liu.se> wrote:

> Hi!
>
> I have a question on how lapw2 calculates the charge density in the
> interstitial region.
>
> Inside fourir.F (line 294 in version 19.1) we call setfft1 as:
>
> CALL setfft1(n,iff1,iff2,iff3,a(1,je1),fft,keigen)
>
> where a(1,je1) is a single number.
> But the subroutine setfft1 expects A to be an array of a different size:
>
> !_REAL      REAL*8           A(nmat)
> !_COMPLEX      COMPLEX*16           A(nmat)
>
> and inside setfft1 we then loop over (some of) the elements in A, from 1
> to n, to set the fft array.
>
> 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 ?
>
>
> Best regards,
> Marcus
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