[Wien] help: lapw7 error

[Peter Blaha]

  Your problem is in Line6
This has fixed format 1090 FORMAT(A3,1X,A3,1X,A5)

thus   "ANG" must start in the 4th column (not 3rd)

Long-Hua Li schrieb:
> Hi, ALL
> I am trying to use lapw7, but an error  bothers me.
> x lapw7 -c
> ERROR: UNKNOWN UNITS OPTION
> 0.000u 0.004s 0:00.00 0.0%      0+0k 0+0io 0pf+0w
> 
> this is my case.in7c
> 2D ORTHO                      --Line1
> 0  0  0 2                         --Line2
> 11 11 0 2                        --Line3
> 0  0 23 2                        --Line3
> 141 35 35 70                   --Line4
> NO                                  --Line5
> RE ANG LARGE                   --Line6
> 1 0			                         --Line7
> 
> my questions are: What's wrong with this file? and how to select Line3 and Line4?  
> 
> Best regards,
> Long-Hua Li
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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