[Wien] error in lapw2

ben amara imen imen.benamara5 at gmail.com
Fri May 18 16:26:47 CEST 2012


Hello
Thank you for your response

But iso want to khnow what means TEMP?? , i searched in wien's guide but i
don't found its signification
To solve my problem , i try to replace TETRA by TEMP in in2c.file
(mentioned below) .This's right??? and this is what you want to say ??
can you help me please and thanks in advance



TOT             (TOT,FOR,QTL,EFG,FERMI)
     -15.0     102.0 0.50 0.05                EMIN, NE, ESEPERMIN, ESEPER0
TEMP    0.000          (GAUSS,ROOT,TEMP,TETRA,ALL      eval)
  0 0  4 0  4 4  6 0  6 4 -3 2
  0 0  2 0 -3 2  4 0  4 4 -5 2  6 0  6 4
  0 0  1 0  2 0  3 0  3 3  4 0  4 3  5 0  5 3  6 0  6 3  6 6
 12.00          GMAX
NOFILE        FILE/NOFILE  write recprlist
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120518/f4cdd629/attachment.htm>


More information about the Wien mailing list