Thanks.
Is there an easy way I can change the script of nebmake.pl?
Search found 3 matches
- Wed May 13, 2009 9:51 pm
- Forum: VTSTTools
- Topic: extra line in POSCAR by nebmake.pl
- Replies: 5
- Views: 20977
- Wed May 13, 2009 4:26 pm
- Forum: VTSTTools
- Topic: extra line in POSCAR by nebmake.pl
- Replies: 5
- Views: 20977
Re: extra line in POSCAR by nebmake.pl
Here it is: Hexagonal GaN 1.000000000000000 4.8056250000000000 -8.3235860000000010 0.0000000000000000 4.8056250000000000 8.3235860000000010 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.4634475000000000 36 36 1 Direct -0.0003407919566453 0.0033711311152593 -0.0008912542933618 0.1413383...
- Tue May 12, 2009 3:04 pm
- Forum: VTSTTools
- Topic: extra line in POSCAR by nebmake.pl
- Replies: 5
- Views: 20977
extra line in POSCAR by nebmake.pl
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 loo...