[Wien] installation/w2web/lapw problems
Fred Nastos
nastos at physics.utoronto.ca
Tue Oct 19 20:40:10 CEST 2004
> 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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