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- Sat Apr 11, 2015 8:25 pm
- Forum: Ground state
- Topic: Band Structure keyerror
- Replies: 1
- Views: 2413
Re: Band Structure keyerror
I think I have figured out the solution. AbinitBandStructureMaker.py is recognizing a lot of special k-points. Since this number is greater than 26, (the number of letters in the alphabet), abinit runs into a key error because it has defined ctrl.alphabet to have only 26 options for special k pts. N...