[Wien] (no subject)

[Peter Blaha]

> I have a problem generating the file case.in2_st. I am not using the
> w2web to run wien2k but only program by program. The manual said that
> the program symmetry needs case.in2_st as an optional file  and lstart
> generates it (see table 4.1 in page 35 of the manual).
> In my case lstart didnt generate the case.in2_st, but I know that the program
> dstart needs this file (case.in2, which is just a copy of case.in2_st). Could
> any one help generating this file? If it has to be generated by hand then it
> seems to me that the manual should say it, but it doesnt.

You don't need to use w2web, but you definitely should use

init_lapw   (and later   run_lapw)    and not just run the individual
programs one by one.


                                      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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