RESPACK swMATH ID: 43498 Software Authors: Nakamura, K.; Yoshimoto, Y.; Nomura, Y.; Tadano, T.; Kawamura, M.; Kosugi, T.; et al. Description: RESPACK: An ab initio tool for derivation of effective low-energy model of material. 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. Homepage: https://www.sciencedirect.com/science/article/pii/S001046552030391X Dependencies: Fortran, Python Related Software: Wannier90; Quantum Espresso; VESTA 3; GitHub; hphi; mVMC; FermiSurfer; DSQSS; ALPS; MateriApps LIVE; xTAPP; lobpcg.m; MatrixMarket; QuSpin; ScaLAPACK; LAPACK; H-wave; NumPy; SciPy; TRIQS Cited in: 4 Documents Standard Articles 1 Publication describing the Software, including 1 Publication in zbMATH Year RESPACK: an ab initio tool for derivation of effective low-energy model of material. Zbl 07690848Nakamura, Kazuma; Yoshimoto, Yoshihide; Nomura, Yusuke; Tadano, Terumasa; Kawamura, Mitsuaki; Kosugi, Taichi; Yoshimi, Kazuyoshi; Misawa, Takahiro; Motoyama, Yuichi 2021 all top 5 Cited by 19 Authors 4 Misawa, Takahiro 4 Yoshimi, Kazuyoshi 3 Ido, Kota 3 Motoyama, Yuichi 2 Kawamura, Mitsuaki 1 Aoyama, Tatsumi 1 Kato, Takeo 1 Kawamura, Taiki 1 Kawashima, Naoki 1 Kobayashi, Akito 1 Koretsune, Takashi 1 Kosugi, Taichi 1 Kurita, Kensuke 1 Nakamura, Kazuma 1 Nomura, Yusuke 1 Tadano, Terumasa 1 Todo, Synge 1 Yamaji, Youhei 1 Yoshimoto, Yoshihide Cited in 1 Serial 4 Computer Physics Communications all top 5 Cited in 6 Fields 3 Computer science (68-XX) 3 Statistical mechanics, structure of matter (82-XX) 2 Numerical analysis (65-XX) 2 Quantum theory (81-XX) 1 Mathematical logic and foundations (03-XX) 1 Mechanics of deformable solids (74-XX) Citations by Year