structural optimization for monolayer In2Se3

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suman
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Joined: Fri Jan 24, 2020 5:25 pm

structural optimization for monolayer In2Se3

Post by suman » Thu Jan 30, 2020 4:25 pm

Hi abinit users,

I am trying to relax coordinates for monolayer In2Se3.
The output file turns out that there is no change in x and y coordinates but significant change in z coordinates.
Could you please help me to fix this issue?
Thank you

Suman
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in2se3.in
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in2se3.out
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