Commit b56206b3 by Nick R. Papior

### 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 ... ...
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!