[Wien] New installation of W2k

[Arthur H. Edwards]

Prof Blaha:

Thanks very much for such a quick response.l I was using the command line. Specifically, Iused init_lapw starting with the .struct file I'm attaching. I didn't modify any of the files that resulted from the various sub processes. I woild be glad to send anything else you might find useful.

Art Edwards

-- 
  Arthur H. Edwards
  edwardsah3 at fastmail.fm

On Sun, May 24, 2020, at 11:40 PM, Peter Blaha wrote:
> No, if you use the recommended scripts / procedure for initialization.
> 
> You did not write how you did the calculations, so we can't help.
> 
> w2web / command line ?  Which commands ....
> 
> Am 25.05.2020 um 05:57 schrieb Arthur H. Edwards:
> > I am jsut running a test case with GaN in the zinc blend structure. dstart fails because the case.in1c and case.in2c files are missing. I'v hand copied case.in1_st and case.in2_st into the associated files, and was able to comp0lete3 the run_lapw. I'm just wondering whether I will always have to do this copying chore.
> > 
> > Thanks,
> > 
> > Art Edwards
> > 
> 
> -- 
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
> +43-1-5880115671
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