@article{oai:kyutech.repo.nii.ac.jp:00007554, author = {Nakamura, Kazuma and 中村, 和磨 and Yoshimoto, Yoshihide and Nomura, Yusuke and Tadano, Terumasa and Kawamura, Mitsuaki and Kosugi, Taichi and Yoshimi, Kazuyoshi and Misawae, Takahiro and Motoyama, Yuichi}, journal = {Computer Physics Communications}, month = {Dec}, note = {RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on the random phase approximation and related optical properties, and frequency-dependent electronic interaction parameters. RESPACK receives its input data from a band-calculation code using norm-conserving pseudopotentials with plane-wave basis sets. Automatic generation scripts that convert the band-structure results to the RESPACK inputs are prepared for xTAPP and Quantum ESPRESSO. An input file for specifying the RESPACK calculation conditions is designed pursuing simplicity and is given in the Fortran namelist format. RESPACK supports hybrid parallelization using OpenMP and MPI and can treat large systems including a few hundred atoms in the calculation cell.}, pages = {107781-1--107781-20}, title = {RESPACK: An ab initio tool for derivation of effective low-energy model of material}, volume = {261}, year = {2020}, yomi = {ナカムラ, カズマ} }