[Wien] Error in spaghetti
nilton
nilton at ufba.br
Wed Oct 17 21:00:51 CEST 2007
Dear Wien2k users and developers,
I have a little problem with spaghetti when I am trying to get band
structure with irreducible representation. I am running the following
sequence:
lapw1
lapwso
irrep [-so]
spaghetti [-so]
When I run spaghetti I get the error message:
nilton at c11:~/lapw/bii3/scf_no_SO/RKm8_cutoff-6/case/bnd/SO/case\>> x
spaghetti -so
FORTRAN STOP ERROR in comprel: cannot find com.rel
1.540u 0.430s 0:02.64 74.6% 0+0k 0+0io 215pf+0w
But if I delete the file case.irrep[so], the spaghetti run very well. It
is enough rename the case.irrep[so]. It sounds a bug in spaghetti. I am
using wien2k7.2. Could someone please help me?
Thanks in advance,
Nilton
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