NEB vasp calculation - error generating images

[dzhang]

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 :)

[graeme]

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.

[dzhang]

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!

[bijoytk]

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?

[graeme]

You can use our nebmake.pl which which take arguments of the endpoint structures and the number of intermediate images.

[bijoytk]

Thank you. I'll try