[Wien] format of structure file

[Jutta Rogal]

Dear all,
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

-- 
--
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   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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