Page 1 of 1

wrong mep.eps

Posted: Sun Jan 07, 2018 7:15 pm
by mmg016
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.

Re: wrong mep.eps

Posted: Sun Jan 07, 2018 9:56 pm
by graeme
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:

Re: wrong mep.eps

Posted: Mon Jan 08, 2018 10:15 am
by mmg016
Thank You Prof. Henkelman, that was very helpful. I could reproduce the plot you posted.