# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/d91a0a2d-621f-445b-9f65-1dc3dd6cfb2a/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[First-principles lattice thermal conductivity calculation for K3Al2As3 / P2_1/m (11) / materials id 28347](https://mdr.nims.go.jp/datasets/b512caf0-9dd9-489f-985f-d37062b0c32b)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Al 04Jan2001PAW_PBE K_pv 17Jan2003PAW_PBE As_d 11Apr2003vasp-settings/kpoints-mesh-relax3 3 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-28347vasp-settings/kpoints-mesh-nac3 3 2vasp-settings/kpoints-mesh-force1 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01