[Wien] dstart

[Peter Blaha]

No, there is no limitation concerning dstart.

Most likely your inst file is not correct (misses some atoms ?)

instgen_lapw
x lstart
x dstart 

> I am running dstart for a 24 atom unit cell (all inequivalent),
> space group 6 (P m).
> The error message is
> 
> PGFIO-F-217/formatted read/unit=81/attempt to read past end of file.
>  File name = TiOCl_LT_U.rsp    formatted, sequential access   record = 5748
>  In source file dstart.f, at line number 238
> 
> The .rsp file looks regular.
> 
> Is there any limitation/constraint in WIEN2k
> concerning the space group 6 (P m)?


                                      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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