This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • README.txt: Description of the contents
  • LDA_TRAINING.tar.gz: LDA calculations for the training set (4x4x4 q-points) for dynamically stable compounds
  • LDA_TRAINING_IMAG.tar.gz: LDA calculations for the training set (4x4x4 q-points) for dynamically unstable compounds
  • LDA_VALIDATION.tar.gz: LDA calculations for the validation set (4x4x4 q-points) for dynamically stable compounds
  • LDA_VALIDATION_IMAG.tar.gz: LDA calculations for the validation set (4x4x4 q-points) for dynamically unstable compounds
  • LDA_QPT8.tar.gz: LDA calculations for selected compounds with 8x8x8 q-points
  • PBE_DONE.tar.gz: PBE calculations for selected compounds (4x4x4 q-points) for dynamically stable compounds
  • PBE_IMAG.tar.gz: PBE calculations for selected compounds (4x4x4 q-points) for dynamically unstable compounds
  • PBE_QPT8.tar.gz: PBE calculations for selected compounds with 8x8x8 q-points