[Wien] Error lat==ORTHOROMBIC in det_pgrp()

Manish Singh msingh9 at uic.edu
Tue Oct 3 20:39:51 CEST 2006


Dear Wien2k users,

I get the following error when I try to run x sgroup during
initialization of sillimanite:

Error lat==ORTHOROMBIC in det_pgrp()
Error lat==ORTHOROMBIC in det_pgrp()
diff: sillimanite.outputsgroup: No such file or directory
diff: sillimanite.outputsgroup1: No such file or directory
Error lat==ORTHOROMBIC in det_pgrp()
0.000u 0.010s 0:00.01 100.0%	0+0k 0+0io 440pf+0w
error: command   sgroup -wi sillimanite.struct -wo
sillimanite.struct_sgroup -set-TOL=0.00001   failed

The struct file is attached. Could anyone tell me what am I doing wrong?
The Wien2k verison is WIEN2k_06.3 (Release 10/5/2006).

The initialization works in older versions though!

Regards,
Manish
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