Dear Prof. Henkelman and all,
I have run a NEB calculation and I wrapped it up with run of 'vfin.pl' . Inside the folder created by vfin.pl, I run the 'nebresults.pl' to produce all the results plots of my NEB calculation. But the 'mep.eps' plot produced is wierd (attached). I am also attaching the results folder produced by 'vfin.pl'. I am also sure that I have placed the proper OUTCAR files of initial and final images in the first and the last folders.
Could someone please help me to solve this issue. Thanks.
wrong mep.eps
Moderator: moderators
wrong mep.eps
- Attachments
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- results-neb.zip
- (33.61 MiB) Downloaded 1483 times
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- mep.pdf
- (23.99 KiB) Downloaded 1071 times
Re: wrong mep.eps
It looks like the script was not able to read the OUTCAR in the 11 directory. Make sure that it was unzipped. When I ran the nebresults script I get a reasonable mep.eps plot:
- Attachments
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- mep.pdf
- (9.82 KiB) Downloaded 1083 times
Re: wrong mep.eps
Thank You Prof. Henkelman, that was very helpful. I could reproduce the plot you posted.