[Wien] elast calculation init error

WANG wang wyxwien at yahoo.com
Fri Apr 1 03:32:49 CEST 2005


Dear All£¬
When run "init_elast", it seems the genetrated "rhomb.templ" and "tetra.temple"  are error.
The structure files are error. The Local Rot Martrix only have two rows.  And atoms number is also error I think.
Some people can explain why?

 I use the last version.
¡¡¡¡¡¡¡¡¡¡¡¡
Best
     
WANG Yuan-Xu
NIMS (National Institute for Materials Science)
Computational Materials Science Center
Namiki 1-1, Tsukuba 305-0044, Japan
Phone +81-29-8513354-8092; Fax +81-29-8541207
wang.yuanxu at nims.go.jp
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡
2005-04-01

		
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