# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cd42fc94-7caa-4da4-be10-3fa61b0c0f13/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 Sr3P4 / Fdd2 (43) / materials id 14288](https://mdr.nims.go.jp/datasets/5aed09f7-7eee-4bce-8e43-4b5d20222e44)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 06Sep2000                   </c></rc>    <rc><c>  48</c><c>Sr</c><c>     87.62000000</c><c>     10.00000000</c><c>  PAW_PBE Sr_sv 07Sep2000               </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 331.552000     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 P Sr   1.0    14.1450220899999994    0.0000000000000000    0.0000000000000000     0.0000000000000000   17.1918565799999996    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.7947157699999998 P Sr  32  24Direct   0.8310456600000000  0.7510209500000000  0.4982431500000000   0.6689543400000000  0.7489790500000000  0.4982431500000000   0.9189543400000000  0.5010209500000000  0.7482431500000000   0.5810456600000000  0.9989790500000000  0.7482431500000000   0.5907911000000000  0.6717978099999999  0.7409335500000001   0.9092089000000000  0.8282021900000001  0.7409335500000001   0.8407911000000000  0.5782021900000001  0.9909335500000001   0.6592089000000000  0.9217978099999999  0.9909335500000001   0.8310456600000000  0.2510209500000000  0.9982431500000000   0.6689543400000000  0.2489790500000000  0.9982431500000000   0.9189543400000000  0.0010209500000000  0.2482431500000000   0.5810456600000000  0.4989790500000000  0.2482431500000000   0.5907911000000000  0.1717978100000000  0.2409335500000000   0.9092089000000000  0.3282021900000000  0.2409335500000000   0.8407911000000000  0.0782021900000000  0.4909335500000000   0.6592089000000000  0.4217978100000000  0.4909335500000000   0.3310456600000000  0.7510209500000000  0.9982431500000000   0.1689543400000000  0.7489790500000000  0.9982431500000000   0.4189543400000000  0.5010209500000000  0.2482431500000000   0.0810456600000000  0.9989790500000000  0.2482431500000000   0.0907911000000000  0.6717978099999999  0.2409335500000000   0.4092089000000000  0.8282021900000001  0.2409335500000000   0.3407911000000000  0.5782021900000001  0.4909335500000000   0.1592089000000000  0.9217978099999999  0.4909335500000000   0.3310456600000000  0.2510209500000000  0.4982431500000000   0.1689543400000000  0.2489790500000000  0.4982431500000000   0.4189543400000000  0.0010209500000000  0.7482431500000000   0.0810456600000000  0.4989790500000000  0.7482431500000000   0.0907911000000000  0.1717978100000000  0.7409335500000001   0.4092089000000000  0.3282021900000000  0.7409335500000001   0.3407911000000000  0.0782021900000000  0.9909335500000001   0.1592089000000000  0.4217978100000000  0.9909335500000001   0.9978230500000000  0.8315704100000000  0.2515790700000000   0.5021769500000000  0.6684295900000000  0.2515790700000000   0.7521769500000000  0.5815704100000000  0.5015790700000000   0.7478230500000000  0.9184295900000000  0.5015790700000000   0.7500000000000000  0.7500000000000000  0.9952884600000000   0.5000000000000000  0.5000000000000000  0.7452884600000000   0.9978230500000000  0.3315704100000000  0.7515790700000000   0.5021769500000000  0.1684295900000000  0.7515790700000000   0.7521769500000000  0.0815704100000000  0.0015790700000000   0.7478230500000000  0.4184295900000000  0.0015790700000000   0.7500000000000000  0.2500000000000000  0.4952884600000000   0.5000000000000000  0.0000000000000000  0.2452884600000000   0.4978230500000000  0.8315704100000000  0.7515790700000000   0.0021769500000000  0.6684295900000000  0.7515790700000000   0.2521769500000000  0.5815704100000000  0.0015790700000000   0.2478230500000000  0.9184295900000000  0.0015790700000000   0.2500000000000000  0.7500000000000000  0.4952884600000000   0.0000000000000000  0.5000000000000000  0.2452884600000000   0.4978230500000000  0.3315704100000000  0.2515790700000000   0.0021769500000000  0.1684295900000000  0.2515790700000000   0.2521769500000000  0.0815704100000000  0.5015790700000000   0.2478230500000000  0.4184295900000000  0.5015790700000000   0.2500000000000000  0.2500000000000000  0.9952884600000000   0.0000000000000000  0.0000000000000000  0.7452884600000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 331.552000     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     1     1     3 0.000 0.000 0.000