# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3919a3ae-7c05-47a6-8f7e-6807bb2e532e/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 CsSbO2 / C2/c (15) / materials id 510273](https://mdr.nims.go.jp/datasets/0fd5c39a-a404-40e1-9112-e024bfb34644)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     3     2     4 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>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  64</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Cs Sb O   1.0     8.0817141100000001    0.0000000000000000   -0.0281862600000000     0.0000000000000000    9.8174319899999993    0.0000000000000000    -2.9643200099999998    0.0000000000000000    4.7329886099999996 Cs Sb O   4   4   8Direct   0.5000000000000000  0.1487198400000000  0.2500000000000000   0.5000000000000000  0.8512801600000000  0.7500000000000000   0.0000000000000000  0.6487198400000000  0.2500000000000000   0.0000000000000000  0.3512801600000000  0.7500000000000000   0.5000000000000000  0.5817966400000000  0.2500000000000000   0.5000000000000000  0.4182033600000000  0.7500000000000000   0.0000000000000000  0.0817966400000000  0.2500000000000000   0.0000000000000000  0.9182033600000000  0.7500000000000000   0.8258752400000000  0.9567901000000000  0.2968693100000000   0.1741247600000000  0.9567901000000000  0.2031306900000000   0.1741247600000000  0.0432099000000000  0.7031306900000001   0.8258752400000000  0.0432099000000000  0.7968693099999999   0.3258752400000000  0.4567901000000000  0.2968693100000000   0.6741247600000000  0.4567901000000000  0.2031306900000000   0.6741247600000000  0.5432099000000000  0.7031306900000001   0.3258752400000000  0.5432099000000000  0.7968693099999999vasp-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     3     2     4 0.000 0.000 0.000