[Wien] error about elast constants calculation

[WANG wang]

I meet same proplem. I think It comes from the "genetempl.f" in SRC_elast. The generated file "rhomb.templ" has some errors.

Shaorui Sun <sunsr at ihep.ac.cn> wrote:Dear all:
I try to calculate elast constants, and when I run the init_elast program, an error comes out as follows:

********************************************
********************************************
INITIALIZATION for RHOMBOHEDRAL CALCULATIONS
********************************************
********************************************

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 %
5
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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