Dear Siesta users,
During script run I got following error message:
atom:
_________________________________________________________________________
prinput: Basis input
----------------------------------------------------------
PAO.BasisType split
%block ChemicalSpeciesLabel
1 14 Si # Species index, atomic number, species
label
2 1 H # Species index, atomic number, species
label
%endblock ChemicalSpeciesLabel
%block PAO.Basis # Define Basis set
Si 2 # Species label, number of
l-shells
n=3 0 2 # n, l, Nzeta
6.592 4.588
1.000 1.000
n=3 1 2 P 1 # n, l, Nzeta, Polarization, NzetaPol
8.679 5.465
1.000 1.000
H 1 # Species label, number of
l-shells
n=1 0 2 P 1 # n, l, Nzeta, Polarization, NzetaPol
6.853 4.208
1.000 1.000
%endblock PAO.Basis
prinput:
----------------------------------------------------------------------
coor: Atomic-coordinates input format = Cartesian coordinates
coor: (in Angstroms)
*** glibc detected *** ./siesta: munmap_chunk(): invalid pointer:
0x091301b0 ***
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.
Backtrace for this error:
Please help me to remove.
*regards,*
........... Amar Bbahadur
