Hello everyone,
I was simulating a h-BN sheet when this error came up:
"ERROR: Invalid mass line in data file (…/atom.cpp:1035)".
I had successfully done similar runs with doped graphene creating a data file in a similar way. So could not understand why this error cropped up. Can anyone please help me find out my error?
I am pasting psrtis of both the data files, one for doped graphene and the incorrect one of h-BN (in that order):
Correct data file of doped graphene
LAMMPS data file.
3280 atoms
2 atom types
-1.842033 199.553902 xlo xhi
-0.708999 41.831002 ylo yhi
-50.000000 50.000000 zlo zhi
Masses
1 12.010700 # CA
2 14.00
INCORRECT Data file of h-BN
# USER_LATT cell with dimension 20 x 20 x 5 and a = 2.5
8000 atoms
2 atom types
0. 50.00000000000000 xlo xhi
0. 43.30125000000000 ylo yhi
0. 33.25000000000000 zlo zhi
25.00000000000000 0.00000000000000 0.00000000000000 xy xz yz
Masses
1 14.0067 #N
2 10.811 #B
Thank you so much for your time.
Best,
Upamanyu Ray