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
structural optimization for monolayer In2Se3
Moderator: bguster
structural optimization for monolayer In2Se3
- Attachments
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in2se3.in- (1.83 KiB) Downloaded 168 times
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- in2se3.out
- (443.58 KiB) Downloaded 163 times