[Pw_forum] Error in routine sym_rho_init_shell (4): lone vector

Manoar Hossain manoarphy at niser.ac.in
Thu Nov 30 15:02:16 CET 2017


Dear Expert,

Here I attached two input files for hexagonal boron nitride (hBN)
*hBN1_relax.in* and *hBN2_relax.in*. For *hBN1_relax.in* I'm getting the
following error "*Error in routine sym_rho_init_shell (4):      lone vector*"
(output file is also attached below *hBN1_relax.out*) but for
*hBN2_relax.in* in which I just reduced the lattice parameter and got no
error at all. I don't have any idea, can anybody please tell me why this is
happening ? And without reducing (or changing) the lattice parameter then
how one can get rid of this error ?
Thanks in  advance.



Regards,
-- 
Manoar Hossain
Research Scholar
School of Physical Sciences
NISER, Bhubaneswar
INDIA
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