I want to use the python script for calculation of elastic properties as mentioned in the web(https://github.com/keeeto/VASP-Elastic) But I got this error message while running the script.please suggest solution.
File “ElasticProperties.py”, line 101
print "Voigt-Reuss-Hill bulk modulus (GPa): ", Kvrh
SyntaxError: invalid syntax
Hi, that script/repo is not supported by us. I do see that you raised an issue in that repo, which is good. My guess is that you are using Python 3, and the script was written using Python 2 because it uses backwards-incompatible print statement syntax. You’ll need to surround the input to
We do support and maintain open codebases for helping you run and analyze the output of VASP calculations to determine elastic properties: see the atomate and pymatgen libraries.