[Wien] LAPW1 ERROR

[Peter Blaha]

You have to kill any w2web process still running and restart it with the 
proper environment. w2web gets its environment at startup and as a running 
process it does not change when you change your settings in .cshrc or 
.bashrc.

ps -ef|grep w2web
kill pid (of all w2web processes)
w2web

> When I execute runsp_lapw from the command line, the SCF cycle reaches the end
> with an acceptable value of  the Ni moment, etc. When I try to run SCF from
> w2web, the cycle crashes in LAPW1, as mentioned before. There seems to be a
> problem with w2web.
> By the way, typing "echo $SCRATCH" gives me the right path to the scratch
> directory.


                                      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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