[Wien] error in clm file?

[Peter Blaha]

>
>  NUMBER OF PW******
>        0    0    0 0.203756969812E-01 0.000000000000E+00
>        0    0   -1-0.293112654029E-03 0.121712062358E-01
>
> row 490406 is the number of pw line. Is it possible to edit the problem so
> that I can continue without having to restart dstart

The program tries to read a number here and gets just *****

Yes, goto the bottom of the file, get the linenumber, and calculate how
many "number of PW" you should have.
The format should be good enough for 999999 PWs. Would this be a larger
number ???  Is your GMAX that large ?

? Are you using an old version of the dstart program ?

Anyway, edit this line and put the proper number in place (max is 999999).
Note: this is a fixed format, so the numbers must be placed exactly at the
right column. (Exactly replacing the ******)
  NUMBER OF PW******
  NUMBER OF PW 98125



                                      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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