[Wien] error about elast constants calculation

Shaorui Sun sunsr at ihep.ac.cn
Sun Mar 13 09:18:51 CET 2005

Dear all:
     I try to calculate elast constants, and when I run the init_elast program, an error comes out as follows:


next is setrmt
Automatic determination of RMTs. Please specify the desired RMT reduction 
compared to almost touching spheres.
Typically, for a single calculation just hit enter, for force minimization
use 1-5; for volume effects you may need even larger reductions.
Enter reduction in %
  please specify nn-bondlength factor: (usually=2)
PGFIO-F-231/formatted read/unit=20/error on data conversion.
 File name = rhomb.struct    formatted, sequential access   record = 11
 In source file nn.f, at line number 160
0.000u 0.000s 0:00.00 0.0%	0+0k 0+0io 162pf+0w
atom  Z   RMT-max   RMT 
Do you want to accept these radii; discard them; or rerun setRmt (a/d/r):
who could tell me what is the matter, and how to resolve it?

Best Regards!
                        S. R. Sun
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
P. O. Box 918, 100049 Beijing
P. R. China
Tel: 0086+10 88236710
email:sunsr at ihep.ac.cn

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