extra line in POSCAR by nebmake.pl
Posted: Tue May 12, 2009 3:04 pm
I am new in using these tools. When I use nebmake.pl to generate images, the POSCAR files all have an extra line between the line for number of atoms in species and the line for 'Direct coordinate'. VASP code complains this and stop running. I have to remove the empty line by hand one by one. It looks as:
Hexagonal GaN
1.000000000000000
4.8056250000000000 -8.3235860000000006 0.0000000000000000
4.8056250000000000 8.3235860000000006 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.4634475000000009
36 36 1
Direct
0.9996592080000000 0.0033711311000000 0.9991087457000000
0.1413383174000000 0.1919509752000000 0.2738973192000000
0.9972766609000000 0.9935152017000000 0.5066271808000000
... ...
Hexagonal GaN
1.000000000000000
4.8056250000000000 -8.3235860000000006 0.0000000000000000
4.8056250000000000 8.3235860000000006 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.4634475000000009
36 36 1
Direct
0.9996592080000000 0.0033711311000000 0.9991087457000000
0.1413383174000000 0.1919509752000000 0.2738973192000000
0.9972766609000000 0.9935152017000000 0.5066271808000000
... ...