[Wien] error using sgroup

krutibas panda krutibas at hotmail.com
Thu Apr 15 10:01:54 CEST 2004


Dear Wien2k users

I am getting the following warning when i am using "sgroup" for my compound 
(hexagonal , P6/mmm) i get 2 different kinda errors ( 1st one seems like a 
warning). Does anyone know what these massages are for ?

Accuracy problem. Please run with different tolerance (x sgroup -settol 
.00000100)
0.000u 0.000s 0:00.00 0.0%      0+0k 0+0io 156pf+0w

Error lat==HEXAGONAL in det_pgrp()
diff: trial.outputsgroup1: No such file or directory
0.000u 0.000s 0:00.00 0.0%      0+0k 0+0io 156pf+0w


thanks in advance
krutibas

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