# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cf82ff2d-5aad-4cb6-9e71-f4e5967643e8/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 Y7HoO12 / I2_12_12_1 (24) / materials id 762307](https://mdr.nims.go.jp/datasets/ed68ce33-0505-48d2-bd6a-1f39f4eabc9b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 28Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 4Ho 164.93000000 9.00000000 PAW_PBE Ho_3 06Sep2000 48O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 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 Y Ho O 1.0 10.5318888499999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.5340932699999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.5333873400000009 Y Ho O 28 4 48Direct 0.7500000000000000 0.7173337399999999 0.5000000000000000 0.9999073200000000 0.4996468900000000 0.4998059300000000 0.2172539100000000 0.0000000000000000 0.7500000000000000 0.7827460900000001 0.5000000000000000 0.7500000000000000 0.0000000000000000 0.7500000000000000 0.7829960499999999 0.5000000000000000 0.2500000000000000 0.7823905200000000 0.0000926800000000 0.9996468900000000 0.0001940700000000 0.9999073200000000 0.5003531100000000 0.0001940700000000 0.0000926800000000 0.0003531100000000 0.4998059300000000 0.7500000000000000 0.2826662600000000 0.0000000000000000 0.0000000000000000 0.2500000000000000 0.2176094800000000 0.5000000000000000 0.7500000000000000 0.2170039500000000 0.2176338600000000 0.5000000000000000 0.2500000000000000 0.7823661399999999 0.0000000000000000 0.2500000000000000 0.2500000000000000 0.2173337400000000 0.0000000000000000 0.4999073200000000 0.9996468900000000 0.9998059300000000 0.7172539099999999 0.5000000000000000 0.2500000000000000 0.2827460900000000 0.0000000000000000 0.2500000000000000 0.5000000000000000 0.2500000000000000 0.2829960500000000 0.0000000000000000 0.7500000000000000 0.2823905200000000 0.5000926800000001 0.4996468900000000 0.5001940700000000 0.4999073200000000 0.0003531100000000 0.5001940700000000 0.5000926800000001 0.5003531100000000 0.9998059300000000 0.2500000000000000 0.7826662600000001 0.5000000000000000 0.5000000000000000 0.7500000000000000 0.7176094800000000 0.0000000000000000 0.2500000000000000 0.7170039500000001 0.7176338600000001 0.0000000000000000 0.7500000000000000 0.2823661400000000 0.5000000000000000 0.7500000000000000 0.2500000000000000 0.7170188399999999 0.0000000000000000 0.2500000000000000 0.2829811600000000 0.5000000000000000 0.7500000000000000 0.2170188400000000 0.5000000000000000 0.7500000000000000 0.7829811600000001 0.0000000000000000 0.0983541100000000 0.8594502500000000 0.6298081900000000 0.9016458899999999 0.6405497499999999 0.6298081900000000 0.1298841300000000 0.4012840500000000 0.6403295600000001 0.6297127800000000 0.5985236800000000 0.6408701500000000 0.6297127800000000 0.4014763200000000 0.8591298500000000 0.1298841300000000 0.5987159500000000 0.8596704400000000 0.9016458899999999 0.3594502500000000 0.8701918100000000 0.0983541100000000 0.1405497500000000 0.8701918100000000 0.6407055800000000 0.1296892500000000 0.9013820100000000 0.1412447500000000 0.8697833800000000 0.9019541300000000 0.3592944200000000 0.3703107500000000 0.9013820100000000 0.8587552500000000 0.6302166200000000 0.9019541300000000 0.1407055800000000 0.3703107500000000 0.0986179900000000 0.8592944200000000 0.1296892500000000 0.0986179900000000 0.6412447500000000 0.6302166200000000 0.0980458700000000 0.3587552500000000 0.8697833800000000 0.0980458700000000 0.9006274900000000 0.8587105700000000 0.1293491300000000 0.0993725100000000 0.6412894300000000 0.1293491300000000 0.8702872200000000 0.4014763200000000 0.1408701500000000 0.3701158700000000 0.5987159500000000 0.1403295600000000 0.3701158700000000 0.4012840500000000 0.3596704400000000 0.8702872200000000 0.5985236800000000 0.3591298500000000 0.0993725100000000 0.3587105700000000 0.3706508700000000 0.9006274900000000 0.1412894300000000 0.3706508700000000 0.5983541100000001 0.3594502500000000 0.1298081900000000 0.4016458900000000 0.1405497500000000 0.1298081900000000 0.6298841300000000 0.9012840500000000 0.1403295600000000 0.1297127800000000 0.0985236800000000 0.1408701500000000 0.1297127800000000 0.9014763200000000 0.3591298500000000 0.6298841300000000 0.0987159500000000 0.3596704400000000 0.4016458900000000 0.8594502500000000 0.3701918100000000 0.5983541100000001 0.6405497499999999 0.3701918100000000 0.1407055800000000 0.6296892500000000 0.4013820100000000 0.6412447500000000 0.3697833800000000 0.4019541300000000 0.8592944200000000 0.8703107500000000 0.4013820100000000 0.3587552500000000 0.1302166200000000 0.4019541300000000 0.6407055800000000 0.8703107500000000 0.5986179899999999 0.3592944200000000 0.6296892500000000 0.5986179899999999 0.1412447500000000 0.1302166200000000 0.5980458700000000 0.8587552500000000 0.3697833800000000 0.5980458700000000 0.4006274900000000 0.3587105700000000 0.6293491300000000 0.5993725100000000 0.1412894300000000 0.6293491300000000 0.3702872200000000 0.9014763200000000 0.6408701500000000 0.8701158700000000 0.0987159500000000 0.6403295600000001 0.8701158700000000 0.9012840500000000 0.8596704400000000 0.3702872200000000 0.0985236800000000 0.8591298500000000 0.5993725100000000 0.8587105700000000 0.8706508700000000 0.4006274900000000 0.6412894300000000 0.8706508700000000vasp-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 2 0.000 0.000 0.000