# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e7dd2470-dcc2-4f31-a87e-8939f293e761/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 Dy3GaO6 / Cmc2_1 (36) / materials id 31113](https://mdr.nims.go.jp/datasets/1942aae9-901a-4635-aeec-20466058666f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_3 06Sep2000                </c></rc>    <rc><c>   8</c><c>Ga</c><c>     69.72300000</c><c>     13.00000000</c><c>  PAW_PBE Ga_d 06Jul2010                </c></rc>    <rc><c>  48</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/POSCAR-unitcell Dy Ga O   1.0     8.7846253399999998    0.0000000000000000    0.0000000000000000     0.0000000000000000   11.0104058800000004    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.3794240200000001 Dy Ga O  12   4  24Direct   0.1928514700000000  0.1050493300000000  0.4697460200000000   0.8071485300000000  0.8949506700000001  0.9697460200000000   0.8071485300000000  0.1050493300000000  0.4697460200000000   0.1928514700000000  0.8949506700000001  0.9697460200000000   0.5000000000000000  0.8977452700000000  0.4210639300000000   0.5000000000000000  0.1022547300000000  0.9210639300000000   0.6928514700000000  0.6050493299999999  0.4697460200000000   0.3071485300000000  0.3949506700000000  0.9697460200000000   0.3071485300000000  0.6050493299999999  0.4697460200000000   0.6928514700000000  0.3949506700000000  0.9697460200000000   0.0000000000000000  0.3977452700000000  0.4210639300000000   0.0000000000000000  0.6022547300000001  0.9210639300000000   0.5000000000000000  0.6927737300000000  0.9999010400000000   0.5000000000000000  0.3072262700000000  0.4999010400000000   0.0000000000000000  0.1927737300000000  0.9999010400000000   0.0000000000000000  0.8072262700000000  0.4999010400000000   0.6589814100000000  0.7635690700000000  0.1800722400000000   0.3410185900000000  0.2364309300000000  0.6800722400000000   0.3410185900000000  0.7635690700000000  0.1800722400000000   0.6589814100000000  0.2364309300000000  0.6800722400000000   0.3399438700000000  0.0161587000000000  0.1961794900000000   0.6600561300000001  0.9838413000000000  0.6961794900000000   0.6600561300000001  0.0161587000000000  0.1961794900000000   0.3399438700000000  0.9838413000000000  0.6961794900000000   0.5000000000000000  0.5374496200000001  0.1448597200000000   0.5000000000000000  0.4625503800000000  0.6448597200000000   0.5000000000000000  0.7163665000000000  0.6620498200000000   0.5000000000000000  0.2836335000000000  0.1620498200000000   0.1589814100000000  0.2635690700000000  0.1800722400000000   0.8410185900000000  0.7364309300000000  0.6800722400000000   0.8410185900000000  0.2635690700000000  0.1800722400000000   0.1589814100000000  0.7364309300000000  0.6800722400000000   0.8399438700000000  0.5161587000000001  0.1961794900000000   0.1600561300000000  0.4838413000000000  0.6961794900000000   0.1600561300000000  0.5161587000000001  0.1961794900000000   0.8399438700000000  0.4838413000000000  0.6961794900000000   0.0000000000000000  0.0374496200000000  0.1448597200000000   0.0000000000000000  0.9625503800000000  0.6448597200000000   0.0000000000000000  0.2163665000000000  0.6620498200000000   0.0000000000000000  0.7836335000000000  0.1620498200000000vasp-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     2     4 0.000 0.000 0.000