[Wien] A question about OPTIC

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Oct 25 17:04:14 CEST 2005


The message tells you that in line 4 of case.inkram there is an error.

Something is in your file and causes the problem.

> Dear WIEN2k users,
>    I try to calculate the epsilon of 1T-TaS2 including the the intraband
> contribution using WIEN2k package, and I change select switch 6
> (including the intraband contribution)in case.injoint file,and I select
> 1 (including the intraband contribution) in case.inkram file.But when
> run x kram  it show a error:
>    ''PGFIO-F-225/list-directed read/unit=5/lexical error-- unknown token
> type.
>  File name = 1T-TaS2.inkram    formatted, sequential access   record = 4
> In source file kram.f, at line number 169"
>  But I do not find any error in source file kram.f. What is wrong with
> what I do?
>   Thanks for your kindly reply!!!
> 
>                                                          your sincerely
> 
> 
> 
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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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