It also may appear if you use dstart after initso
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
Dr. Gerhard H. Fecher
Ins
No, there is a previous error in the initialization in lstart.
(case.rsp is created by lstart)
Typically this may happen if your case.inst file is not consistent with
the number of atoms in case.struct.
I suggest to
rm case.inst
init_lapw
On 03/05/2013 10:36 AM, Serena Corallini wrote:
>
There should be W2kutils.c the lines
#ifdef __APPLE__
limit.rlim_cur = limit.rlim_max ; /* RLIM_INFINITY */
#else
limit.rlim_cur = RLIM_INFINITY ;
#endif
Maybe this is not being recognized in your Mac OS X, in which case try
( see http://lists.apple.com/archives/unix-porting/2004/Mar/msg
Dear all,
we are interesting in some calculation for different kind of
structure: the one that give the dstart problem is for the P4mm space
group with cell built from 2 Perovskite units (2xABO3) removing the
oxygen on the common face to simulate a vacancy. Initialization is ok
up to
Comm
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