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Hello,
I need to run crest research with the constrain file and after a long try and error, I found that the indexing of the atoms starts at 1. Shall I suggest adding this information in the docs?
Hello,
I need to run crest research with the constrain file and after a long try and error, I found that the indexing of the atoms starts at 1. Shall I suggest adding this information in the docs?
thanks so much