# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7f565c65-280e-4ac7-88ff-1a01c48a81ae/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 KY(PO3)4 / C2/c (15) / materials id 541495](https://mdr.nims.go.jp/datasets/388a0d28-794e-4789-9cd1-afc742b1b665)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 8K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 96O 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 K P O 1.0 7.8329316400000000 0.0000000000000000 -0.0161890500000000 0.0000000000000000 12.4009560400000005 0.0000000000000000 -3.7521627899999999 0.0000000000000000 9.7530996900000009 Y K P O 4 4 16 48Direct 0.5000000000000000 0.6194078599999999 0.7500000000000000 0.5000000000000000 0.3805921400000000 0.2500000000000000 0.0000000000000000 0.1194078600000000 0.7500000000000000 0.0000000000000000 0.8805921400000000 0.2500000000000000 0.5000000000000000 0.6858700000000000 0.2500000000000000 0.5000000000000000 0.3141300000000000 0.7500000000000000 0.0000000000000000 0.1858700000000000 0.2500000000000000 0.0000000000000000 0.8141300000000000 0.7500000000000000 0.2789399400000000 0.0247003500000000 0.5578466300000000 0.7210600600000000 0.0247003500000000 0.9421533700000000 0.7210600600000000 0.9752996500000000 0.4421533700000000 0.2789399400000000 0.9752996500000000 0.0578466300000000 0.4559440600000000 0.1708348900000000 0.0045676600000000 0.5440559400000000 0.1708348900000000 0.4954323400000000 0.5440559400000000 0.8291651100000000 0.9954323400000000 0.4559440600000000 0.8291651100000000 0.5045676600000000 0.7789399400000000 0.5247003500000000 0.5578466300000000 0.2210600600000000 0.5247003500000000 0.9421533700000000 0.2210600600000000 0.4752996500000000 0.4421533700000000 0.7789399400000000 0.4752996500000000 0.0578466300000000 0.9559440600000000 0.6708348900000001 0.0045676600000000 0.0440559400000000 0.6708348900000001 0.4954323400000000 0.0440559400000000 0.3291651100000000 0.9954323400000000 0.9559440600000000 0.3291651100000000 0.5045676600000000 0.2160818700000000 0.0320141500000000 0.6757425000000000 0.7839181300000000 0.0320141500000000 0.8242575000000000 0.7839181300000000 0.9679858500000000 0.3242575000000000 0.2160818700000000 0.9679858500000000 0.1757425000000000 0.1452178600000000 0.0107205300000000 0.4140001000000000 0.8547821400000000 0.0107205300000000 0.0859999000000000 0.8547821400000000 0.9892794700000000 0.5859999000000000 0.1452178600000000 0.9892794700000000 0.9140001000000000 0.4007374800000000 0.1300300200000000 0.5643490099999999 0.5992625200000000 0.1300300200000000 0.9356509900000000 0.5992625200000000 0.8699699800000000 0.4356509900000000 0.4007374800000000 0.8699699800000000 0.0643490100000000 0.4307204500000000 0.0697999200000000 0.0907500400000000 0.5692795500000001 0.0697999200000000 0.4092499600000000 0.5692795500000001 0.9302000800000000 0.9092499600000000 0.4307204500000000 0.9302000800000000 0.5907500400000000 0.2856524200000000 0.1987396600000000 0.8859737000000000 0.7143475800000000 0.1987396600000000 0.6140263000000000 0.7143475800000000 0.8012603400000000 0.1140263000000000 0.2856524200000000 0.8012603400000000 0.3859737000000000 0.5551277100000001 0.2568432500000000 0.1044599800000000 0.4448722900000000 0.2568432500000000 0.3955400200000000 0.4448722900000000 0.7431567500000000 0.8955400200000000 0.5551277100000001 0.7431567500000000 0.6044599800000000 0.7160818700000000 0.5320141500000000 0.6757425000000000 0.2839181300000000 0.5320141500000000 0.8242575000000000 0.2839181300000000 0.4679858500000000 0.3242575000000000 0.7160818700000000 0.4679858500000000 0.1757425000000000 0.6452178600000000 0.5107205300000000 0.4140001000000000 0.3547821400000000 0.5107205300000000 0.0859999000000000 0.3547821400000000 0.4892794700000000 0.5859999000000000 0.6452178600000000 0.4892794700000000 0.9140001000000000 0.9007374800000000 0.6300300200000000 0.5643490099999999 0.0992625200000000 0.6300300200000000 0.9356509900000000 0.0992625200000000 0.3699699800000000 0.4356509900000000 0.9007374800000000 0.3699699800000000 0.0643490100000000 0.9307204500000000 0.5697999200000000 0.0907500400000000 0.0692795500000000 0.5697999200000000 0.4092499600000000 0.0692795500000000 0.4302000800000000 0.9092499600000000 0.9307204500000000 0.4302000800000000 0.5907500400000000 0.7856524200000000 0.6987396600000000 0.8859737000000000 0.2143475800000000 0.6987396600000000 0.6140263000000000 0.2143475800000000 0.3012603400000000 0.1140263000000000 0.7856524200000000 0.3012603400000000 0.3859737000000000 0.0551277100000000 0.7568432500000000 0.1044599800000000 0.9448722899999999 0.7568432500000000 0.3955400200000000 0.9448722899999999 0.2431567500000000 0.8955400200000000 0.0551277100000000 0.2431567500000000 0.6044599800000000vasp-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 2 0.000 0.000 0.000