# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8e3ba5b6-153a-4b59-8a5b-993b34bcf071/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 Na4Sn3F10 / C2/c (15) / materials id 27310](https://mdr.nims.go.jp/datasets/523e89a2-7ef4-4e24-ad08-f9458681b76e)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  80</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </c></rc>    <rc><c>  32</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  24</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 = 520.000000     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 F Na Sn   1.0    12.1180382699999996    0.0000000000000000   -0.0182971100000000     0.0000000000000000   17.9417341199999996    0.0000000000000000    -0.1627427700000000    0.0000000000000000    5.4560512599999997 F Na Sn  40  16  12Direct   0.5371438800000000  0.2585716100000000  0.5162900300000000   0.4628561200000000  0.2585716100000000  0.9837099700000000   0.4628561200000000  0.7414283900000000  0.4837099700000000   0.5371438800000000  0.7414283900000000  0.0162900300000000   0.7366798100000000  0.1682295400000000  0.6045252500000000   0.2633201900000000  0.1682295400000000  0.8954747500000000   0.2633201900000000  0.8317704600000000  0.3954747500000000   0.7366798100000000  0.8317704600000000  0.1045252500000000   0.6047283000000000  0.0480674300000000  0.6128013700000000   0.3952717000000000  0.0480674300000000  0.8871986300000000   0.3952717000000000  0.9519325700000000  0.3871986300000000   0.6047283000000000  0.9519325700000000  0.1128013700000000   0.6683641100000000  0.3224483200000000  0.9382714300000000   0.3316358900000000  0.3224483200000000  0.5617285700000000   0.6216212200000000  0.8774710000000000  0.5481292099999999   0.3783787800000000  0.8774710000000000  0.9518707900000000   0.3783787800000000  0.1225290000000000  0.4518707900000000   0.6216212200000000  0.1225290000000000  0.0481292100000000   0.6683641100000000  0.6775516800000000  0.4382714300000000   0.3316358900000000  0.6775516800000000  0.0617285700000000   0.0371438800000000  0.7585716100000000  0.5162900300000000   0.9628561200000000  0.7585716100000000  0.9837099700000000   0.9628561200000000  0.2414283900000000  0.4837099700000000   0.0371438800000000  0.2414283900000000  0.0162900300000000   0.2366798100000000  0.6682295400000000  0.6045252500000000   0.7633201900000000  0.6682295400000000  0.8954747500000000   0.7633201900000000  0.3317704600000000  0.3954747500000000   0.2366798100000000  0.3317704600000000  0.1045252500000000   0.1047283000000000  0.5480674300000000  0.6128013700000000   0.8952717000000000  0.5480674300000000  0.8871986300000000   0.8952717000000000  0.4519325700000000  0.3871986300000000   0.1047283000000000  0.4519325700000000  0.1128013700000000   0.1683641100000000  0.8224483200000000  0.9382714300000000   0.8316358900000000  0.8224483200000000  0.5617285700000000   0.1216212200000000  0.3774710000000000  0.5481292099999999   0.8783787800000000  0.3774710000000000  0.9518707900000000   0.8783787800000000  0.6225290000000000  0.4518707900000000   0.1216212200000000  0.6225290000000000  0.0481292100000000   0.1683641100000000  0.1775516800000000  0.4382714300000000   0.8316358900000000  0.1775516800000000  0.0617285700000000   0.6725734200000000  0.7710156200000000  0.7519561900000000   0.3274265800000000  0.7710156200000000  0.7480438100000000   0.3274265800000000  0.2289843800000000  0.2480438100000000   0.6725734200000000  0.2289843800000000  0.2519561900000000   0.5000000000000000  0.8446999700000000  0.2500000000000000   0.5000000000000000  0.1553000300000000  0.7500000000000000   0.5000000000000000  0.9521332800000000  0.7500000000000000   0.5000000000000000  0.0478667200000000  0.2500000000000000   0.1725734200000000  0.2710156200000000  0.7519561900000000   0.8274265800000000  0.2710156200000000  0.7480438100000000   0.8274265800000000  0.7289843800000000  0.2480438100000000   0.1725734200000000  0.7289843800000000  0.2519561900000000   0.0000000000000000  0.3446999700000000  0.2500000000000000   0.0000000000000000  0.6553000300000000  0.7500000000000000   0.0000000000000000  0.4521332800000000  0.7500000000000000   0.0000000000000000  0.5478667200000000  0.2500000000000000   0.2520599500000000  0.0786912800000000  0.6624802100000000   0.7479400500000000  0.0786912800000000  0.8375197900000000   0.7479400500000000  0.9213087200000000  0.3375197900000000   0.2520599500000000  0.9213087200000000  0.1624802100000000   0.5000000000000000  0.6560056800000000  0.2500000000000000   0.5000000000000000  0.3439943200000000  0.7500000000000000   0.7520599500000000  0.5786912799999999  0.6624802100000000   0.2479400500000000  0.5786912799999999  0.8375197900000000   0.2479400500000000  0.4213087200000000  0.3375197900000000   0.7520599500000000  0.4213087200000000  0.1624802100000000   0.0000000000000000  0.1560056800000000  0.2500000000000000   0.0000000000000000  0.8439943200000000  0.7500000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     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     2     1     4 0.000 0.000 0.000