# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6da2c134-c3e4-4e3c-9b04-ded460e3a015/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 CdI2 / P3m1 (156) / materials id 569611](https://mdr.nims.go.jp/datasets/a688630d-217a-493e-9506-5ef87e97f9ec)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     5     5     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  17</c><c>Cd</c><c>    112.41100000</c><c>     12.00000000</c><c>  PAW_PBE Cd 06Sep2000                  </c></rc>    <rc><c>  34</c><c>I </c><c>    126.90400000</c><c>      7.00000000</c><c>  PAW_PBE I 08Apr2002                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 356.636800     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 Cd I   1.0     4.2217301400000000    0.0000000000000000    0.0000000000000000    -2.1108650700000000    3.6561255500000001    0.0000000000000000     0.0000000000000000    0.0000000000000000  116.4431519099999974 Cd I  17  34Direct   0.0000000000000000  0.0000000000000000  0.6029556100000000   0.0000000000000000  0.0000000000000000  0.7205696300000000   0.6666666700000000  0.3333333300000000  0.3676630300000000   0.0000000000000000  0.0000000000000000  0.4852822300000000   0.0000000000000000  0.0000000000000000  0.9558684900000000   0.0000000000000000  0.0000000000000000  0.5441406000000000   0.0000000000000000  0.0000000000000000  0.8970441700000000   0.0000000000000000  0.0000000000000000  0.3088181400000000   0.6666666700000000  0.3333333300000000  0.2500056100000000   0.0000000000000000  0.0000000000000000  0.8382207200000000   0.0000000000000000  0.0000000000000000  0.4264640900000000   0.0000000000000000  0.0000000000000000  0.6617701600000000   0.6666666700000000  0.3333333300000000  0.0147128800000000   0.6666666700000000  0.3333333300000000  0.1323564800000000   0.0000000000000000  0.0000000000000000  0.0735268400000000   0.0000000000000000  0.0000000000000000  0.7794063600000000   0.0000000000000000  0.0000000000000000  0.1911770400000000   0.3333333300000000  0.6666666700000000  0.3234639700000000   0.3333333300000000  0.6666666700000000  0.4411071300000000   0.3333333300000000  0.6666666700000000  0.5587827200000000   0.6666666700000000  0.3333333300000000  0.4706424900000000   0.6666666700000000  0.3333333300000000  0.5883167600000000   0.6666666700000000  0.3333333300000000  0.8824048700000000   0.3333333300000000  0.6666666700000000  0.1470018400000000   0.6666666700000000  0.3333333300000000  0.1765348400000000   0.6666666700000000  0.3333333300000000  0.6471317700000000   0.0000000000000000  0.0000000000000000  0.2353648000000000   0.3333333300000000  0.6666666700000000  0.2058224200000000   0.3333333300000000  0.6666666700000000  0.6764108500000000   0.0000000000000000  0.0000000000000000  0.1177149700000000   0.3333333300000000  0.6666666700000000  0.3823074500000000   0.6666666700000000  0.3333333300000000  0.4118219700000000   0.6666666700000000  0.3333333300000000  0.0588849800000000   0.6666666700000000  0.3333333300000000  0.9412291600000000   0.3333333300000000  0.6666666700000000  0.0293583500000000   0.0000000000000000  0.0000000000000000  0.0000711600000000   0.6666666700000000  0.3333333300000000  0.5295000500000000   0.0000000000000000  0.0000000000000000  0.3530219600000000   0.3333333300000000  0.6666666700000000  0.6175977000000000   0.6666666700000000  0.3333333300000000  0.7059316400000000   0.3333333300000000  0.6666666700000000  0.9116870900000000   0.3333333300000000  0.6666666700000000  0.0881715500000000   0.3333333300000000  0.6666666700000000  0.7940474500000000   0.6666666700000000  0.3333333300000000  0.2941761300000000   0.6666666700000000  0.3333333300000000  0.8235820100000000   0.3333333300000000  0.6666666700000000  0.9705133500000001   0.6666666700000000  0.3333333300000000  0.7647680000000000   0.3333333300000000  0.6666666700000000  0.7352111100000001   0.3333333300000000  0.6666666700000000  0.2646501200000000   0.3333333300000000  0.6666666700000000  0.8528622600000000   0.3333333300000000  0.6666666700000000  0.4999250000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 356.636800     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     5     5     1 0.000 0.000 0.000