jkitchin / jasp

python enhancements of ase.calculators.vasp
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Cannot find files in the molecules directory #24

Closed shenggangli closed 10 years ago

shenggangli commented 10 years ago

Thank you for sharing such a nice program. We are learning to use this program, but some of the files mentioned in the book was not provided. For example, on page 16, the molecules/isobutane.xyz file cannot be found anywhere in the jasp or dft-book directories. Hope the authors can share these files as well. Many thanks!

jkitchin commented 10 years ago

Thanks for letting me know it is missing. I have added it to the dft-book here: https://github.com/jkitchin/dft-book/tree/master/molecules