# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5ada7f5b-d0e4-4b10-aa12-2e1861ece46a/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 Y2P4O13 / C222_1 (20) / materials id 30321](https://mdr.nims.go.jp/datasets/41a7dc3d-4c0c-42de-b370-1dd31f2273dd)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 52O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 8Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 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 O P Y 1.0 7.0275959400000003 0.0000000000000000 0.0000000000000000 0.0000000000000000 17.3606814500000013 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.5728871800000004 O P Y 52 16 8Direct 0.7557937100000001 0.2713222900000000 0.1070214800000000 0.2557937100000000 0.2286777100000000 0.8929785200000000 0.7442062899999999 0.2286777100000000 0.6070214800000000 0.2442062900000000 0.2713222900000000 0.3929785200000000 0.5784136799999999 0.3517789400000000 0.9018432900000000 0.0784136800000000 0.1482210600000000 0.0981567100000000 0.9215863200000000 0.1482210600000000 0.4018432900000000 0.4215863200000000 0.3517789400000000 0.5981567100000000 0.9226353200000000 0.3422462600000000 0.8817623500000000 0.4226353200000000 0.1577537400000000 0.1182376500000000 0.5773646800000001 0.1577537400000000 0.3817623500000000 0.0773646800000000 0.3422462600000000 0.6182376500000000 0.5000000000000000 0.4114399600000000 0.2500000000000000 0.0000000000000000 0.0885600400000000 0.7500000000000000 0.2021778100000000 0.4159120300000000 0.3932418900000000 0.7021778100000000 0.0840879700000000 0.6067581100000000 0.2978221900000000 0.0840879700000000 0.8932418900000000 0.7978221900000000 0.4159120300000000 0.1067581100000000 0.7642743700000000 0.0211047700000000 0.2019882400000000 0.2642743700000000 0.4788952300000000 0.7980117600000000 0.7357256300000000 0.4788952300000000 0.7019882399999999 0.2357256300000000 0.0211047700000000 0.2980117600000000 0.2094287500000000 0.3841070300000000 0.1009671400000000 0.7094287500000001 0.1158929700000000 0.8990328600000000 0.2905712500000000 0.1158929700000000 0.6009671400000001 0.7905712499999999 0.3841070300000000 0.3990328600000000 0.2557937100000000 0.7713222900000000 0.1070214800000000 0.7557937100000001 0.7286777099999999 0.8929785200000000 0.2442062900000000 0.7286777099999999 0.6070214800000000 0.7442062899999999 0.7713222900000000 0.3929785200000000 0.0784136800000000 0.8517789400000000 0.9018432900000000 0.5784136799999999 0.6482210600000000 0.0981567100000000 0.4215863200000000 0.6482210600000000 0.4018432900000000 0.9215863200000000 0.8517789400000000 0.5981567100000000 0.4226353200000000 0.8422462600000000 0.8817623500000000 0.9226353200000000 0.6577537400000000 0.1182376500000000 0.0773646800000000 0.6577537400000000 0.3817623500000000 0.5773646800000001 0.8422462600000000 0.6182376500000000 0.0000000000000000 0.9114399600000000 0.2500000000000000 0.5000000000000000 0.5885600400000000 0.7500000000000000 0.7021778100000000 0.9159120300000000 0.3932418900000000 0.2021778100000000 0.5840879700000000 0.6067581100000000 0.7978221900000000 0.5840879700000000 0.8932418900000000 0.2978221900000000 0.9159120300000000 0.1067581100000000 0.2642743700000000 0.5211047700000000 0.2019882400000000 0.7642743700000000 0.9788952300000000 0.7980117600000000 0.2357256300000000 0.9788952300000000 0.7019882399999999 0.7357256300000000 0.5211047700000000 0.2980117600000000 0.7094287500000001 0.8841070300000000 0.1009671400000000 0.2094287500000000 0.6158929700000000 0.8990328600000000 0.7905712499999999 0.6158929700000000 0.6009671400000001 0.2905712500000000 0.8841070300000000 0.3990328600000000 0.7596599900000001 0.3401997500000000 0.0007878300000000 0.2596599900000000 0.1598002500000000 0.9992121700000000 0.7403400099999999 0.1598002500000000 0.5007878299999999 0.2403400100000000 0.3401997500000000 0.4992121700000000 0.7147553799999999 0.4363105600000000 0.2747639700000000 0.2147553800000000 0.0636894400000000 0.7252360300000000 0.7852446200000001 0.0636894400000000 0.7747639700000000 0.2852446200000000 0.4363105600000000 0.2252360300000000 0.2596599900000000 0.8401997500000000 0.0007878300000000 0.7596599900000001 0.6598002500000000 0.9992121700000000 0.2403400100000000 0.6598002500000000 0.5007878299999999 0.7403400099999999 0.8401997500000000 0.4992121700000000 0.2147553800000000 0.9363105600000000 0.2747639700000000 0.7147553799999999 0.5636894400000000 0.7252360300000000 0.2852446200000000 0.5636894400000000 0.7747639700000000 0.7852446200000001 0.9363105600000000 0.2252360300000000 0.2503103700000000 0.3535224100000000 0.8520119100000000 0.7503103700000000 0.1464775900000000 0.1479880900000000 0.2496896300000000 0.1464775900000000 0.3520119100000000 0.7496896300000000 0.3535224100000000 0.6479880900000000 0.7503103700000000 0.8535224100000001 0.8520119100000000 0.2503103700000000 0.6464775899999999 0.1479880900000000 0.7496896300000000 0.6464775899999999 0.3520119100000000 0.2496896300000000 0.8535224100000001 0.6479880900000000vasp-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 1 2 0.000 0.000 0.000