[Wien] installation/w2web/lapw problems

Holger Kleinke kleinke at uwaterloo.ca
Wed Oct 20 21:41:32 CEST 2004


Right on Fred! I thought I wouldn't need the 'save file and clean up' 
option, since the struct file is an example file...

However, the w2web-https issue is still unresolved.

Holger



At 02:40 PM 10/19/2004, you wrote:
> > 2) Next, I tried the example files, i.e. Bi and CaB6. On neither machine
> > does init_lapw generate the name.inst file needed for x lstart; so I ran
> > manually instgen (which worked fine). Any idea what might be wrong?
>
>As far as I know, init_lapw does not run instgen for you.  I suspect w2web
>actually calls instgen when you chose "save file and clean up".  If you use
>the command line, you need to manually run instgen before init_lapw.
>
> > 3) Thereafter, it was smooth sailing under suse's linux PC. On the other
> > however, the first SCF cycle failed (no other problem showed up during the
> > initialization). The *error* files are empty, and this showed up in STDOUT:
> > LAPW0 END
> > GTFNAM - Exactly one commandline argument has to be given.
>
>That's odd.  That's usually the error you get if you run a command without
>specifying the .def file.  You did run the scf cycle by using run_lapw,
>right?
>
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