# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a3ff21b0-a8c6-43ca-a674-89c589fbda4b/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 Dy2P4O13 / C2/c (15) / materials id 771306](https://mdr.nims.go.jp/datasets/10034a50-ccd3-4025-857e-c0a868ab6ade)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Dy 162.50000000 9.00000000 PAW_PBE Dy_3 06Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 52O 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 Dy P O 1.0 11.7863821099999999 0.0000000000000000 -0.0741824800000000 0.0000000000000000 6.7253990699999999 0.0000000000000000 -3.6169980399999999 0.0000000000000000 12.3355853999999994 Dy P O 8 16 52Direct 0.1905341400000000 0.5028739400000000 0.0478586100000000 0.1905341400000000 0.4971260600000000 0.5478586100000000 0.3094658600000000 0.0028739400000000 0.4521413900000000 0.3094658600000000 0.9971260600000000 0.9521413900000000 0.6905341400000000 0.0028739400000000 0.0478586100000000 0.6905341400000000 0.9971260600000000 0.5478586100000000 0.8094658600000000 0.5028739400000000 0.4521413900000000 0.8094658600000000 0.4971260600000000 0.9521413900000000 0.2617633700000000 0.5108035500000000 0.3380746100000000 0.2617633700000000 0.4891964500000000 0.8380746100000001 0.4890058400000000 0.6576118799999999 0.1335531200000000 0.0109941600000000 0.1576118800000000 0.3664468800000000 0.4890058400000000 0.3423881200000000 0.6335531200000000 0.0109941600000000 0.8423881200000000 0.8664468800000000 0.2382366300000000 0.0108035500000000 0.1619253900000000 0.2382366300000000 0.9891964500000000 0.6619253899999999 0.7617633699999999 0.0108035500000000 0.3380746100000000 0.7617633699999999 0.9891964500000000 0.8380746100000001 0.9890058400000000 0.1576118800000000 0.1335531200000000 0.5109941600000000 0.6576118799999999 0.3664468800000000 0.9890058400000000 0.8423881200000000 0.6335531200000000 0.5109941600000000 0.3423881200000000 0.8664468800000000 0.7382366300000001 0.5108035500000000 0.1619253900000000 0.7382366300000001 0.4891964500000000 0.6619253899999999 0.3876536400000000 0.5163765400000000 0.1012201000000000 0.3992276700000000 0.5180003900000000 0.3445590100000000 0.3876536400000000 0.4836234600000000 0.6012200999999999 0.3992276700000000 0.4819996100000000 0.8445590100000000 0.1934604600000000 0.5062334900000001 0.2198891300000000 0.2480173300000000 0.3266604800000000 0.4035614700000000 0.2355679600000000 0.6854046499999999 0.4039116900000000 0.4947280200000000 0.8294219400000000 0.0576516200000000 0.1934604600000000 0.4937665100000000 0.7198891300000000 0.2480173300000000 0.6733395200000001 0.9035614700000000 0.2355679600000000 0.3145953500000000 0.9039116900000000 0.0000000000000000 0.2558107600000000 0.2500000000000000 0.0052719800000000 0.3294219400000000 0.4423483800000000 0.4947280200000000 0.1705780600000000 0.5576516200000000 0.0000000000000000 0.7441892400000000 0.7500000000000000 0.2644320400000000 0.1854046500000000 0.0960883100000000 0.2519826700000000 0.8266604800000000 0.0964385300000000 0.3065395400000000 0.0062334900000000 0.2801108700000000 0.0052719800000000 0.6705780600000000 0.9423483800000000 0.2644320400000000 0.8145953500000001 0.5960883100000001 0.2519826700000000 0.1733395200000000 0.5964385300000000 0.3065395400000000 0.9937665100000000 0.7801108700000000 0.1007723300000000 0.0180003900000000 0.1554409900000000 0.1123463600000000 0.0163765400000000 0.3987799000000000 0.1007723300000000 0.9819996100000000 0.6554409900000000 0.1123463600000000 0.9836234600000000 0.8987799000000000 0.8876536400000000 0.0163765400000000 0.1012201000000000 0.8992276700000000 0.0180003900000000 0.3445590100000000 0.8876536400000000 0.9836234600000000 0.6012200999999999 0.8992276700000000 0.9819996100000000 0.8445590100000000 0.6934604600000001 0.0062334900000000 0.2198891300000000 0.7480173299999999 0.8266604800000000 0.4035614700000000 0.7355679600000000 0.1854046500000000 0.4039116900000000 0.9947280200000000 0.3294219400000000 0.0576516200000000 0.6934604600000001 0.9937665100000000 0.7198891300000000 0.7480173299999999 0.1733395200000000 0.9035614700000000 0.7355679600000000 0.8145953500000001 0.9039116900000000 0.5000000000000000 0.7558107600000000 0.2500000000000000 0.5052719800000001 0.8294219400000000 0.4423483800000000 0.9947280200000000 0.6705780600000000 0.5576516200000000 0.5000000000000000 0.2441892400000000 0.7500000000000000 0.7644320400000000 0.6854046499999999 0.0960883100000000 0.7519826700000000 0.3266604800000000 0.0964385300000000 0.8065395399999999 0.5062334900000001 0.2801108700000000 0.5052719800000001 0.1705780600000000 0.9423483800000000 0.7644320400000000 0.3145953500000000 0.5960883100000001 0.7519826700000000 0.6733395200000001 0.5964385300000000 0.8065395399999999 0.4937665100000000 0.7801108700000000 0.6007723300000001 0.5180003900000000 0.1554409900000000 0.6123463600000000 0.5163765400000000 0.3987799000000000 0.6007723300000001 0.4819996100000000 0.6554409900000000 0.6123463600000000 0.4836234600000000 0.8987799000000000vasp-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 3 2 0.000 0.000 0.000