# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/03792d4c-abe2-453c-9fde-929458ddf351/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 HoTa7O19 / P-6c2 (188) / materials id 850779](https://mdr.nims.go.jp/datasets/7528e656-c8ba-456a-bd99-283cf2b57ac6)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     4     4     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>   2</c><c>Ho</c><c>    164.93000000</c><c>      9.00000000</c><c>  PAW_PBE Ho_3 06Sep2000                </c></rc>    <rc><c>  14</c><c>Ta</c><c>    180.94800000</c><c>     11.00000000</c><c>  PAW_PBE Ta_pv 07Sep2000               </c></rc>    <rc><c>  38</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 Ho Ta O   1.0     6.1958245800000000    0.0000000000000000    0.0000000000000000    -3.0979122800000001    5.3657414899999996    0.0000000000000000     0.0000000000000000    0.0000000000000000   19.9017142299999996 Ho Ta O   2  14  38Direct   0.3333333300000000  0.6666666700000000  0.5000000000000000   0.3333333300000000  0.6666666700000000  0.0000000000000000   0.6658702700000000  0.9705104800000000  0.3445102800000000   0.6658702700000000  0.9705104800000000  0.1554897200000000   0.6658702700000000  0.6953597899999999  0.8445102799999999   0.6658702700000000  0.6953597899999999  0.6554897200000001   0.0294895200000000  0.3341297300000000  0.6554897200000001   0.0294895200000000  0.3341297300000000  0.8445102799999999   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.3046402100000000  0.3341297300000000  0.3445102800000000   0.3046402100000000  0.3341297300000000  0.1554897200000000   0.0294895200000000  0.6953597899999999  0.3445102800000000   0.0294895200000000  0.6953597899999999  0.1554897200000000   0.3046402100000000  0.9705104800000000  0.6554897200000001   0.3046402100000000  0.9705104800000000  0.8445102799999999   0.9144600000000001  0.5816145100000000  0.8469669500000000   0.9144600000000001  0.5816145100000000  0.6530330500000000   0.0907954200000000  0.7107775300000000  0.2500000000000000   0.9144600000000001  0.3328454900000000  0.1530330500000000   0.9144600000000001  0.3328454900000000  0.3469669500000000   0.2892224700000000  0.9092045800000000  0.7500000000000000   0.4183854900000000  0.0855400000000000  0.3469669500000000   0.4183854900000000  0.0855400000000000  0.1530330500000000   0.0907954200000000  0.3800178900000000  0.7500000000000000   0.3333333300000000  0.6666666700000000  0.3703727600000000   0.3333333300000000  0.6666666700000000  0.6296272400000000   0.3333333300000000  0.6666666700000000  0.8703727600000000   0.3333333300000000  0.6666666700000000  0.1296272400000000   0.2892224700000000  0.3800178900000000  0.2500000000000000   0.6671545100000000  0.0855400000000000  0.8469669500000000   0.6671545100000000  0.0855400000000000  0.6530330500000000   0.6199821100000000  0.9092045800000000  0.2500000000000000   0.7093336100000001  0.9460996000000000  0.4444203900000000   0.7093336100000001  0.9460996000000000  0.0555796100000000   0.4183854900000000  0.3328454900000000  0.6530330500000000   0.4183854900000000  0.3328454900000000  0.8469669500000000   0.6199821100000000  0.7107775300000000  0.7500000000000000   0.7093336100000001  0.7632340200000001  0.5555796100000000   0.7093336100000001  0.7632340200000001  0.9444203900000000   0.6671545100000000  0.5816145100000000  0.3469669500000000   0.6671545100000000  0.5816145100000000  0.1530330500000000   0.0539004000000000  0.2906663900000000  0.9444203900000000   0.0539004000000000  0.2906663900000000  0.5555796100000000   0.0000000000000000  0.0000000000000000  0.1670890100000000   0.0000000000000000  0.0000000000000000  0.6670890100000000   0.0000000000000000  0.0000000000000000  0.8329109900000000   0.0000000000000000  0.0000000000000000  0.3329109900000000   0.2367659800000000  0.2906663900000000  0.4444203900000000   0.2367659800000000  0.2906663900000000  0.0555796100000000   0.0539004000000000  0.7632340200000001  0.4444203900000000   0.0539004000000000  0.7632340200000001  0.0555796100000000   0.2367659800000000  0.9460996000000000  0.9444203900000000   0.2367659800000000  0.9460996000000000  0.5555796100000000vasp-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     4     4     1 0.000 0.000 0.000