# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b49a2860-2233-4a42-b9ed-3b7e4bea61a9/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

[Ab-initio phonon calculation for K2In2Sb3 / P2_1/c (14) / materials id 579637](https://mdr.nims.go.jp/datasets/b2dd2840-a9eb-473d-8eef-8a8965d088a8)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>K </c><c>     39.09800000</c><c>      7.00000000</c><c>  PAW_PBE K_pv 17Jan2003                </c></rc>    <rc><c>  32</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  48</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 310.974300     EDIFF = 1.000000e-08    EDIFFG = -1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/POSCAR-unitcell K In Sb   1.0    15.3365917399999994    0.0000000000000000    0.0032678900000000     0.0000000000000000    7.5217279000000001    0.0000000000000000    -0.1157941900000000    0.0000000000000000   16.7601085199999993 K In Sb  16  16  24Direct   0.5771094100000000  0.5359669600000000  0.3866714000000000   0.0588866500000000  0.9458411600000000  0.6021652900000001   0.3572557000000000  0.5328101400000000  0.0088976000000000   0.1549588300000000  0.0510933700000000  0.0241693600000000   0.6427442999999999  0.0328101400000000  0.4911024000000000   0.9411133500000000  0.4458411600000000  0.8978347100000000   0.4228905900000000  0.0359669600000000  0.1133286000000000   0.6427442999999999  0.4671898600000000  0.9911024000000001   0.5771094100000000  0.9640330400000000  0.8866714000000000   0.0588866500000000  0.5541588399999999  0.1021652900000000   0.4228905900000000  0.4640330400000000  0.6133286000000000   0.1549588300000000  0.4489066300000000  0.5241693599999999   0.3572557000000000  0.9671898600000000  0.5088975999999998   0.9411133500000000  0.0541588400000000  0.3978347100000000   0.8450411700000000  0.9489066300000000  0.9758306400000000   0.8450411700000000  0.5510933700000000  0.4758306400000000   0.9075363100000000  0.7340969600000000  0.2422017200000000   0.0924636900000000  0.2340969600000000  0.2577982800000000   0.9075363100000000  0.7659030400000000  0.7422017200000000   0.8169263900000000  0.2190779300000000  0.1619098500000000   0.5929890099999999  0.2151839300000000  0.2283732400000000   0.4070109900000000  0.7848160700000000  0.7716267600000000   0.0924636900000000  0.2659030400000000  0.7577982800000000   0.8169263900000000  0.2809220700000000  0.6619098500000000   0.5929890099999999  0.2848160700000000  0.7283732400000000   0.4070109900000000  0.7151839300000000  0.2716267600000000   0.1830736100000000  0.7809220700000000  0.8380901500000000   0.3182951600000000  0.2621837200000000  0.8278530700000000   0.3182951600000000  0.2378162800000000  0.3278530700000000   0.6817048400000000  0.7621837200000000  0.6721469300000000   0.1830736100000000  0.7190779300000000  0.3380901500000000   0.6817048400000000  0.7378162800000000  0.1721469300000000   0.2508262600000000  0.1619958700000000  0.6734172800000000   0.5230930400000000  0.5375584300000000  0.1666424400000000   0.4769069600000000  0.4624415700000000  0.8333575600000001   0.7511426300000000  0.2804863200000000  0.8203828100000000   0.5230930400000000  0.9624415700000000  0.6666424399999999   0.7491737400000000  0.6619958699999999  0.8265827200000000   0.0211494700000000  0.9716577199999999  0.8434151100000000   0.9788505300000000  0.4716577200000000  0.6565848900000000   0.6612433799999999  0.0579242600000000  0.0865986800000000   0.2488573700000000  0.7804863200000001  0.6796171900000000   0.3387566200000000  0.9420757400000001  0.9134013200000000   0.8334178100000000  0.5678264900000001  0.1026835100000000   0.1665821900000000  0.0678264900000000  0.3973164900000000   0.7491737400000000  0.8380041300000001  0.3265827200000000   0.2488573700000000  0.7195136799999999  0.1796171900000000   0.6612433799999999  0.4420757400000000  0.5865986800000000   0.7511426300000000  0.2195136800000000  0.3203828100000000   0.4769069600000000  0.0375584300000000  0.3333575600000000   0.3387566200000000  0.5579242600000001  0.4134013200000000   0.0211494700000000  0.5283422800000002  0.3434151100000000   0.8334178100000000  0.9321735100000000  0.6026835100000000   0.9788505300000000  0.0283422800000000  0.1565848900000000   0.2508262600000000  0.3380041300000000  0.1734172800000000   0.1665821900000000  0.4321735100000000  0.8973164900000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 310.974300     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma     1     3     1 0.000 0.000 0.000