[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
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