[Wien] [SPAM?] Lapw1 error

[Laurence Marks]

There is a patch for this which seems to work, but I don't know if it
is on the download site. I suggest downloading the very latest
SRC_lapw1 and recompiling it. If this fails search the mailing list as
I think Peter sent it to someone.

2012/2/2 Artamonov Oleg <artaoleg at yandex.ru>:
> Dear Wien2k users,
>
> We are testing Wien2k_11 on a new cluster with Intel Xeon CPU E5335
> 2.00GHz, CentOS 5.6, ifort 12.0.2, MKL 10.3 .
> We prepared three structures using w2web: W(bcc), W222(bcc), W333(bcc).  The
> latest two are supercells constructed from original  W(bcc) by multiplying
> it by the factor of 2 or 3 in all direction. All tree structures are
> initialized using w2web without any WARNING.
> The structures W(bcc) and W222(bcc) work fine after "run_lapw -p". The
> W333(bcc) stops with error message "Error in LAPW1
>  'LOPW' - Plane waves exhausted" both on the cluster and on a virtual
> computer. Increasing parameter RKMAX up to 9 doesn't help.
>
> Thanks in advance,
>                              Oleg Artamonov
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi