Hello there,
I was trying to produce the images with nebmake.pl and got the following error message:
filetype1: vasp5
filetype2: vasp5
Illegal division by zero at /home/****/vtstscripts-915/Vasp.pm line 168.
I have also attached the corresponding initial and final POSCAR files.
Your assistance is greatly appreciated!
Thanks so much :)
NEB vasp calculation - error generating images
Moderator: moderators
NEB vasp calculation - error generating images
- Attachments
-
- NEB-transition-state.zip
- (173.21 KiB) Downloaded 999 times
Re: NEB vasp calculation - error generating images
It looks ok to me. I ran:
nebmake.pl POSCAR_i/POSCAR POSCAR_f/POSCAR 5
filetype1: vasp4
filetype2: vasp4
OK, ALL SETUP HERE
FOR LATER ANALYSIS, PUT OUTCARs IN FOLDERS 00 and 06 !!!
and obtained the following images, saved here as a movie.
nebmake.pl POSCAR_i/POSCAR POSCAR_f/POSCAR 5
filetype1: vasp4
filetype2: vasp4
OK, ALL SETUP HERE
FOR LATER ANALYSIS, PUT OUTCARs IN FOLDERS 00 and 06 !!!
and obtained the following images, saved here as a movie.
- Attachments
-
- movie.txt
- (3.6 KiB) Downloaded 1061 times
Re: NEB vasp calculation - error generating images
Thanks a lot! I think I know what went wrong: I specified the directories rather than the corresponding POSCAR files. Thank you a lot again!
Re: NEB vasp calculation - error generating images
Dear Administrator,
I am very new to NEB calculations. Hence I would like to know is there any script for generating POSCAR files for NEB calculations? How can we define intermediate images?
I am very new to NEB calculations. Hence I would like to know is there any script for generating POSCAR files for NEB calculations? How can we define intermediate images?
Re: NEB vasp calculation - error generating images
You can use our nebmake.pl which which take arguments of the endpoint structures and the number of intermediate images.
Re: NEB vasp calculation - error generating images
Thank you. I'll try