# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/85e00d11-513e-48d0-bece-c44e39ab120c/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 CsSn / P-43n (218) / materials id 571056](https://mdr.nims.go.jp/datasets/db96a293-dddd-456c-b2d3-008a0a17ffd9)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Cs</c><c>    132.90000000</c><c>      9.00000000</c><c>  PAW_PBE Cs_sv 08Apr2002               </c></rc>    <rc><c>  32</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 313.407900     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 Cs Sn   1.0    14.3160900699999996    0.0000000000000000    0.0000000000000000     0.0000000000000000   14.3160900699999996    0.0000000000000000     0.0000000000000000    0.0000000000000000   14.3160900699999996 Cs Sn  32  32Direct   0.1641089300000000  0.4351441900000000  0.6417439899999999   0.8325649500000000  0.8325649500000000  0.8325649500000000   0.8358910700000000  0.4351441900000000  0.3582560100000000   0.1674350500000000  0.8325649500000000  0.1674350500000000   0.1417439900000000  0.0648558100000000  0.3358910700000000   0.3325649500000000  0.3325649500000000  0.3325649500000000   0.3325649500000000  0.6674350499999999  0.6674350499999999   0.0648558100000000  0.3358910700000000  0.1417439900000000   0.6674350499999999  0.3325649500000000  0.6674350499999999   0.1641089300000000  0.5648558100000001  0.3582560100000000   0.8358910700000000  0.5648558100000001  0.6417439899999999   0.6641089300000000  0.1417439900000000  0.9351441900000000   0.6674350499999999  0.6674350499999999  0.3325649500000000   0.8582560100000001  0.9351441900000000  0.3358910700000000   0.8325649500000000  0.1674350500000000  0.1674350500000000   0.1417439900000000  0.9351441900000000  0.6641089300000000   0.1674350500000000  0.1674350500000000  0.8325649500000000   0.6417439899999999  0.8358910700000000  0.5648558100000001   0.5648558100000001  0.3582560100000000  0.1641089300000000   0.9351441900000000  0.6641089300000000  0.1417439900000000   0.9351441900000000  0.3358910700000000  0.8582560100000001   0.3582560100000000  0.1641089300000000  0.5648558100000001   0.4351441900000000  0.6417439899999999  0.1641089300000000   0.0648558100000000  0.6641089300000000  0.8582560100000001   0.4351441900000000  0.3582560100000000  0.8358910700000000   0.8582560100000001  0.0648558100000000  0.6641089300000000   0.3358910700000000  0.1417439900000000  0.0648558100000000   0.5648558100000001  0.6417439899999999  0.8358910700000000   0.3358910700000000  0.8582560100000001  0.9351441900000000   0.6417439899999999  0.1641089300000000  0.4351441900000000   0.6641089300000000  0.8582560100000001  0.0648558100000000   0.3582560100000000  0.8358910700000000  0.4351441900000000   0.9214915200000000  0.1789375600000000  0.4320080600000000   0.5726026700000000  0.4273973300000000  0.4273973300000000   0.4214915200000000  0.0679919400000000  0.3210624400000000   0.0726026700000000  0.9273973300000000  0.9273973300000000   0.5785084800000000  0.0679919400000000  0.6789375600000001   0.9273973300000000  0.0726026700000000  0.9273973300000000   0.8210624399999999  0.5679919400000000  0.9214915200000000   0.6789375600000001  0.4214915200000000  0.9320080600000000   0.5726026700000000  0.5726026700000000  0.5726026700000000   0.6789375600000001  0.5785084800000000  0.0679919400000000   0.4214915200000000  0.9320080600000000  0.6789375600000001   0.4320080600000000  0.9214915200000000  0.1789375600000000   0.5785084800000000  0.9320080600000000  0.3210624400000000   0.0679919400000000  0.6789375600000001  0.5785084800000000   0.0726026700000000  0.0726026700000000  0.0726026700000000   0.3210624400000000  0.5785084800000000  0.9320080600000000   0.0785084800000000  0.1789375600000000  0.5679919400000000   0.1789375600000000  0.4320080600000000  0.9214915200000000   0.1789375600000000  0.5679919400000000  0.0785084800000000   0.9214915200000000  0.8210624399999999  0.5679919400000000   0.3210624400000000  0.4214915200000000  0.0679919400000000   0.4273973300000000  0.5726026700000000  0.4273973300000000   0.0679919400000000  0.3210624400000000  0.4214915200000000   0.9273973300000000  0.9273973300000000  0.0726026700000000   0.0785084800000000  0.8210624399999999  0.4320080600000000   0.9320080600000000  0.6789375600000001  0.4214915200000000   0.4320080600000000  0.0785084800000000  0.8210624399999999   0.5679919400000000  0.9214915200000000  0.8210624399999999   0.8210624399999999  0.4320080600000000  0.0785084800000000   0.4273973300000000  0.4273973300000000  0.5726026700000000   0.5679919400000000  0.0785084800000000  0.1789375600000000   0.9320080600000000  0.3210624400000000  0.5785084800000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 313.407900     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     1     1 0.000 0.000 0.000