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JDFTx is a free plane-wave density-functional theory (DFT) code distributed under the GPL license. JDFTx can directly output required files for BerkeleyGW calculations (in HDF5 format). For more information, refer to the dump command documentation.


The wrapper for the JDFTx code is provided by a third-party developer. The BerkeleyGW core team cannot attest the correctness and accuracy of such wrappers. Please, contact the JDFTx team if you have questions.