I'm a new VASP user and I don't manage to run my first calculation with VASP 6.4.0. It is about a slab of Fe(OH)2 adsorbed on a slab of Au, I am sorry I do not manage to attach the input files, but I can absolutely provide them. The calculation stops and if I look at the slurm I get
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| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| internal error in: mkpoints_full.F at line: 137 |
| |
| internal error in CHECK_FULL_KPOINTS: KPOINTS_FULL not properly |
| initialised |
| |
| If you are not a developer, you should not encounter this problem. |
| Please submit a bug report. |
| |
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If I run the same calculation with VASP 5.4.4 I get in the slurm this error
internal error in CHECK_FULL_KPOINTS: KPOINTS_FULL not properly initialised
As I said I am sorry but I did not understand how to attach files to this post but at list I write below my KPOINTS
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Automatic mesh
0
Gamma
4 2 1
0 0 0
Eleonora