[Pw_forum] inconsistent angular momentum
Jian ZHOU
zjspam at gmail.com
Wed Nov 2 07:36:53 CET 2005
Dear all,
I am try to do some LSDA+U calculations of YMnO3. I downloaded the pbe
pseudo potential of them.
Since there are only one kind of PP of Mn: Mn.pbe-sp-van.UPF , so I
used the Y.pbe-nsp-van.UPF and O.pbe-van_ak.UPF for the Y and O.
However, a error occurs, which looks happening during reading the PP.
Does anyone ever encountered the similar problems? I searched in the
forum, It seemed that no similar errors discussed before.
Program PWSCF v.2.1.5 starts ...
Today is 2Nov2005 at 14:57:24
Parallel version (MPI)
Number of processors in use: 1
Ultrasoft (Vanderbilt) Pseudopotentials
Current dimensions of program pwscf are:
ntypx =10 npk =40000 lmax = 3
nchix = 6 ndmx = 2000 nbrx =14 nqfx = 8
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from read_pseudo_nl : error # 1
inconsistent angular momentum for Q_ij
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_13777: p4_error: : 0
Thank you in advance.
Best wishes,
zhoujian
More information about the users
mailing list