[Wien] NMATMAX

[Luis Ogando]

Dear Wien2k community,

   I am calculating a compound with H atoms. Due to this, I used RKmax =
3.0 as recommended in the Wien2k homepage.
   The calculating run without a problem, but I got :

:WARN :      WARNING: RKmax reduced due to NMATMAX

   In $WIENROOT/SRC_lpaw1/param.inc I have NMATMAX=13000 and, to my
surprise, I also have :

:RKM  : MATRIX SIZE 55150LOs: 295  RKM= 2.38  WEIGHT= 1.00  PGR:

when I was expecting MATRIX SIZE <= NMATMAX
   I would like to get an effective RKmax=3.0 for testing convergence and
to get it I was thinking in changing NMATMAX in
$WIENROOT/SRC_lpaw1/param.inc and recompiling the SRC_lapw1 directory.
   Well, as I am not sure if NMATMAX is really limiting the effective
RKmax, I would like to know what I misunderstood and what is the correct
procedure to increase the effective RKmax.
   Thank you for your attention !
   All the best,
                      Luis
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160712/b56ad3e4/attachment.html>