[Wien] Mini NEWT

[Torsten Andersen]

Dear All,

when I run "min_lapw" with "NEWT 0.1" in case.inM, at the end of the run 
I get the following mini.error:

  'NWTMIN' -   stop  after  maxstp  in mini-run
  'NWTMIN' -   stp.le.tolx
  'NWTMIN' -    tolx =        0.000500
  'NWTMIN' -    stp  =        0.000392
  'NWTMIN' -   possible reason: muffin-tin radii too large
  'NWTMIN' -    stpmax =        1.000000

There is plenty of space between the muffin-tins (I have left room for 
about 15% contraction, and it contracts at most 1,3% when I am using 
"NEWT 1.0") - also, nn tells me that there is plenty of room in the step 
where it goes wrong.

Can it be the value of tolx that has to be lowered in SRC_mini?

Best regards,
Torsten Andersen.

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/