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nebmake.pl problem

Posted: Sun Jul 04, 2021 12:23 pm
by aminkoochaki1234
Hi there,

I have used nebmake.pl to create 8 intermediate phases between initial and final images.

But the created intermediate images are not interpolated correctly.

I should note that I reordered atoms and they are in the same order in two POSCAR files.

I have attached my input files.

I appreciate it any helps.

Many thanks.

Re: nebmake.pl problem

Posted: Sun Jul 04, 2021 6:51 pm
by graeme
The structures in these two files look very different to me. I would be very surprised if there was a simple process connecting the two.