# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6dd0b3b9-b78c-4a16-abaf-201cdeb30839/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 Bi2P4O13 / C2/c (15) / materials id 28541](https://mdr.nims.go.jp/datasets/8d604756-0f1d-4c2e-9fe9-fcc14888ed41)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 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 8Bi 208.98000000 5.00000000 PAW_PBE Bi 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 O P Bi 1.0 11.9943883400000004 0.0000000000000000 -0.0374613200000000 0.0000000000000000 6.8953374700000003 0.0000000000000000 -3.6870104399999999 0.0000000000000000 12.6937302100000000 O P Bi 52 16 8Direct 0.5000000000000000 0.7394098200000000 0.7500000000000000 0.5000000000000000 0.2605901800000000 0.2500000000000000 0.0021613700000000 0.3125568100000000 0.9362983600000000 0.4978386300000000 0.8125568100000000 0.5637016400000000 0.4978386300000000 0.1874431900000000 0.0637016400000000 0.0021613700000000 0.6874431900000000 0.4362983600000000 0.1113967300000000 0.0090576400000000 0.8946932300000000 0.3886032700000000 0.5090576400000000 0.6053067700000000 0.3886032700000000 0.4909423600000000 0.1053067700000000 0.1113967300000000 0.9909423600000000 0.3946932300000000 0.0979706000000000 0.0059476100000000 0.6566356700000000 0.4020294000000000 0.5059476100000000 0.8433643300000000 0.1971256900000000 0.4932516500000000 0.2259005000000000 0.3028743100000000 0.9932516500000000 0.2740995000000000 0.3028743100000000 0.0067483500000000 0.7740994999999999 0.1971256900000000 0.5067483500000001 0.7259005000000001 0.2563782800000000 0.8185483500000000 0.0964030300000000 0.2436217200000000 0.3185483500000000 0.4035969700000000 0.2436217200000000 0.6814516500000001 0.9035969699999999 0.2563782800000000 0.1814516500000000 0.5964030300000001 0.2501215300000000 0.1716677400000000 0.0975041800000000 0.2498784700000000 0.6716677400000000 0.4024958200000000 0.2498784700000000 0.3283322600000000 0.9024958199999999 0.2501215300000000 0.8283322600000000 0.5975041800000001 0.0979706000000000 0.9940523900000000 0.1566356700000000 0.4020294000000000 0.4940523900000000 0.3433643300000000 0.0000000000000000 0.2394098200000000 0.7500000000000000 0.0000000000000000 0.7605901800000000 0.2500000000000000 0.5021613700000001 0.8125568100000000 0.9362983600000000 0.9978386299999999 0.3125568100000000 0.5637016400000000 0.9978386299999999 0.6874431900000000 0.0637016400000000 0.5021613700000001 0.1874431900000000 0.4362983600000000 0.6113967300000001 0.5090576400000000 0.8946932300000000 0.8886032699999999 0.0090576400000000 0.6053067700000000 0.8886032699999999 0.9909423600000000 0.1053067700000000 0.6113967300000001 0.4909423600000000 0.3946932300000000 0.5979706000000000 0.5059476100000000 0.6566356700000000 0.9020294000000000 0.0059476100000000 0.8433643300000000 0.6971256900000000 0.9932516500000000 0.2259005000000000 0.8028743100000000 0.4932516500000000 0.2740995000000000 0.8028743100000000 0.5067483500000001 0.7740994999999999 0.6971256900000000 0.0067483500000000 0.7259005000000001 0.7563782800000000 0.3185483500000000 0.0964030300000000 0.7436217199999999 0.8185483500000000 0.4035969700000000 0.7436217199999999 0.1814516500000000 0.9035969699999999 0.7563782800000000 0.6814516500000001 0.5964030300000001 0.7501215300000000 0.6716677400000000 0.0975041800000000 0.7498784700000001 0.1716677400000000 0.4024958200000000 0.7498784700000001 0.8283322600000000 0.9024958199999999 0.7501215300000000 0.3283322600000000 0.5975041800000001 0.5979706000000000 0.4940523900000000 0.1566356700000000 0.9020294000000000 0.9940523900000000 0.3433643300000000 0.4895130100000000 0.6477738600000000 0.6359895900000000 0.0104869900000000 0.1477738600000000 0.8640104100000000 0.0104869900000000 0.8522261400000000 0.3640104100000000 0.4895130100000000 0.3522261400000000 0.1359895900000000 0.2325760900000000 0.0077787000000000 0.6597774199999999 0.2674239100000000 0.5077787000000000 0.8402225800000001 0.2674239100000000 0.4922213000000000 0.3402225800000000 0.2325760900000000 0.9922213000000000 0.1597774200000000 0.9895130100000000 0.1477738600000000 0.6359895900000000 0.5104869900000000 0.6477738600000000 0.8640104100000000 0.5104869900000000 0.3522261400000000 0.3640104100000000 0.9895130100000000 0.8522261400000000 0.1359895900000000 0.7325760900000000 0.5077787000000000 0.6597774199999999 0.7674239100000000 0.0077787000000000 0.8402225800000001 0.7674239100000000 0.9922213000000000 0.3402225800000000 0.7325760900000000 0.4922213000000000 0.1597774200000000 0.3054905400000000 0.0012198500000000 0.9446689800000000 0.1945094600000000 0.5012198500000000 0.5553310200000000 0.1945094600000000 0.4987801500000000 0.0553310200000000 0.3054905400000000 0.9987801500000000 0.4446689800000000 0.8054905400000000 0.5012198500000000 0.9446689800000000 0.6945094600000000 0.0012198500000000 0.5553310200000000 0.6945094600000000 0.9987801500000000 0.0553310200000000 0.8054905400000000 0.4987801500000000 0.4446689800000000vasp-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