Commit b56206b3 authored by Nick R. Papior's avatar Nick R. Papior
Browse files

mnt: added more debug printouts for vibra

This will help understanding what it does.
parent 3d1bbfa8
......@@ -51,7 +51,10 @@ c Internal variables ...
integer maxlin, maxk, maxnq
parameter (maxlin = 1000)
parameter (maxk = 5000)
parameter (maxnq = 1000)
! maxnq is the maximum number of different q-points for
! the Wiegner-Sietz cells. Due to the loop it will never be more
! than 27 (3 x -1:1)
parameter (maxnq = 27)
integer
. in, neq, nk, nlines, lastk(maxlin)
......@@ -577,6 +580,9 @@ c form because hermdp.f wants input this way.
c Loop over k points
do ik=1,nk
#ifdef VIBRA_DEBUG
print "(a,i0)", "running ik == ", ik
#endif
q(1) = kpoint(1,ik)
q(2) = kpoint(2,ik)
......@@ -629,7 +635,8 @@ c Loop over k points
enddo
enddo
#ifdef VIBRA_DEBUG
print "(a,3(tr1,i4))", "i, j, neq", i, j, neq
print "(a,'(',i2,',',i2,')',tr2,'[',2(i0,','),i0,']',tr2,i4)",
& "(i,j) [x,y,z] neq ",i, j, lx, ly, lz, neq
#endif
c qr = q(1)*r(1) + q(2)*r(2) + q(3)*r(3)
do in = 1,neq
......
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