[Wien] format of structure file

[Peter Blaha]

I don't think it really matters. In fortran READs any F10.x does the job,
in WRITEs F10.8 or F10.9 makes a difference, but in our case this is
irrelevant (you can only specify 8 digits after the comma first, so it
does not matter, when you write later a 9th digit).
Anyway, I'll clean it up in SRC_mini.  Thank's!

> I found an inconsistency for the format of the structure file,
> especially for the R0 and RMT, during the initialization and the main
> programs.  In nn, e.g. we have the following format for read and write
> SRC_nn:
> nn.f:         READ(20,1050) NAME(JATOM),JRJ(JATOM),R0(JATOM),RMTT(jatom), &
> nn.f: 1050 FORMAT(A10,5X,I5,5X,F10.8,5X,F10.4,5x,f5.1)
>
> nn.f:         write(21,1149)
> NAMEN(JATOM)(1:2),jatom,JRJN(JATOM),R0N(JATOM),RMTTN(jatom),zzn(jatom)
> nn.f: 1149 FORMAT(A2,i1,7x,' NPT=',I5,'  R0=',F10.8,' RMT=',F10.4,'
> Z:',f5.1)
>
> But in the main programs like lapw2 it is like that
> SRC_lapw2:
> lapw2.F:         READ(20,1050)
> ANAME(JATOM),JRI(JATOM),R0(JATOM),RMT(JATOM), &
> lapw2.F: 1050 FORMAT(A10,5X,I5,5X,F10.9,5X,F10.5,5X,F10.5)
>
> I recongnized this because also in the mini program, where new structure
> files are written, the old format is used, so that the relaxed structure
> files are different from the initial one:
> SRC_mini:
> haupt.f: 1049 FORMAT(A10,' NPT=',I5,'  R0=',F10.9,' RMT=',F10.5,'
> Z:',f10.5)
> haupt.f:        WRITE(21,1049)
> ANAME(JATOM),JRI(JATOM),RNOT(JATOM),RMT(JATOM), &
>
> As far as I could see, at least in my case, the R0 and RMT were still
> read in correctly, but that might depend on how many digits you specify
> after the point.
> Regards
> Jutta
>
> --
> --
> ---------------------------------------------------------------------
>    Jutta Rogal
>
>    Fritz-Haber-Institut
>    der Max-Planck-Gesellschaft
>    Abteilung Theorie
>    Faradayweg 4-6
>    14195 Berlin/Germany
>
>    Phone: ++49 30 8413 4854
>    Fax:   ++49 30 8413 4701
>    rogal at fhi-berlin.mpg.de
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                                      P.Blaha
--------------------------------------------------------------------------
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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