[Wien] error in 2X2X2 supercel MgO following guide

[Lyudmila Dobysheva]

02.05.2024 16:21, 夏宇阳 wrote:
> When i follow the latest guide to make a supercell for MgO, an error came out.
> i mark the first Mg as Mg1.And then i face an error when i do x nn.
> Fortran runtime error: Bad value during integer read
...
> How can i fix it?
You do not give details:
you pressed x nn
and what did you do next?
What struct file do you use?
What error you received?

Best wishes,
Lyudmila Dobysheva
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