nebmake.pl problem

Vasp transition state theory tools

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aminkoochaki1234
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Joined: Sun Jul 04, 2021 10:59 am

nebmake.pl problem

Post 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.
Attachments
POSCAR00_09.zip
(5.98 KiB) Downloaded 526 times
graeme
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Re: nebmake.pl problem

Post 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.
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