# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/bf5c308b-75fe-4b31-97e0-01491a3b29c6/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 K2PSe3 / P2_1/c (14) / materials id 31314](https://mdr.nims.go.jp/datasets/ce40618a-ac6c-4cb8-a089-3a34459300fe)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE P 06Sep2000PAW_PBE K_pv 17Jan2003PAW_PBE Se 06Sep2000vasp-settings/kpoints-mesh-relax1 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-31314vasp-settings/kpoints-mesh-nac1 2 2vasp-settings/kpoints-mesh-force1 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01