# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1c57994e-b7a0-4a10-b317-f8351e5a5542/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 KBi(PO3)4 / P2_1/c (14) / materials id 559020](https://mdr.nims.go.jp/datasets/3708d9cc-bd01-449b-a004-bd3a27161e1c)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 8Bi 208.98000000 5.00000000 PAW_PBE Bi 08Apr2002 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 K Bi P O 1.0 10.4804813200000009 0.0000000000000000 -0.0008729100000000 0.0000000000000000 9.0457857799999992 0.0000000000000000 -7.5185326400000001 0.0000000000000000 10.4106049800000005 K Bi P O 4 4 16 48Direct 0.2526589200000000 0.0732670800000000 0.0449283600000000 0.2526589200000000 0.4267329200000000 0.5449283600000000 0.7473410800000000 0.5732670799999999 0.4550716400000000 0.7473410800000000 0.9267329200000000 0.9550716400000000 0.3142291000000000 0.7745826600000000 0.3136687300000000 0.6857709000000001 0.2254173400000000 0.6863312699999999 0.6857709000000001 0.2745826600000000 0.1863312700000000 0.3142291000000000 0.7254173400000000 0.8136687300000001 0.1968953500000000 0.8940759500000000 0.5181505399999999 0.0185372500000000 0.0222073100000000 0.2664751500000000 0.8031046500000000 0.1059240500000000 0.4818494600000000 0.3186735700000000 0.3300278500000000 0.8576935000000000 0.3186735700000000 0.1699721500000000 0.3576935000000000 0.0185372500000000 0.4777926900000000 0.7664751500000000 0.8031046500000000 0.3940759500000000 0.9818494600000000 0.6813264299999999 0.8300278500000000 0.6423065000000000 0.6145660300000000 0.5943499100000000 0.7591798700000000 0.6145660300000000 0.9056500900000000 0.2591798700000000 0.3854339700000000 0.0943499100000000 0.7408201300000000 0.9814627500000001 0.5222073100000000 0.2335248500000000 0.1968953500000000 0.6059240500000000 0.0181505400000000 0.9814627500000001 0.9777926900000000 0.7335248500000000 0.6813264299999999 0.6699721500000000 0.1423065000000000 0.3854339700000000 0.4056500900000000 0.2408201300000000 0.8515619200000000 0.8477983600000000 0.6695666100000000 0.7275289200000000 0.7950489500000000 0.2484475600000000 0.6370590300000001 0.9660981100000000 0.6812953400000000 0.4853916100000000 0.6839407000000000 0.7451537300000000 0.9647284300000000 0.4526143700000000 0.1103210700000000 0.4307512200000000 0.5362423100000000 0.3278861900000000 0.0352715700000000 0.5473856300000000 0.8896789300000000 0.4222640500000000 0.2354351300000000 0.4894700500000000 0.5692487800000000 0.0362423100000000 0.1721138100000000 0.7275289200000000 0.7049510500000000 0.7484475600000000 0.2591050400000000 0.4505715800000000 0.0938118000000000 0.3058913800000000 0.6533060100000000 0.9849994600000000 0.4307512200000000 0.9637576900000000 0.8278861900000000 0.1484380800000000 0.1522016400000000 0.3304333900000000 0.3629409700000000 0.4660981100000000 0.8187046600000000 0.3629409700000000 0.0339018900000000 0.3187046600000000 0.5692487800000000 0.4637576900000000 0.6721138099999999 0.9403855800000001 0.0891181600000000 0.7966582500000000 0.2591050400000000 0.0494284200000000 0.5938118000000000 0.1419088000000000 0.9102219600000000 0.8173262600000000 0.9647284300000000 0.0473856300000000 0.6103210700000000 0.1484380800000000 0.3477983600000000 0.8304333900000000 0.2724710800000000 0.2049510500000000 0.7515524400000000 0.8427084200000000 0.2114313500000000 0.4147135900000000 0.5777359500000000 0.7354351299999999 0.0105299500000000 0.4222640500000000 0.2645648700000000 0.9894700500000000 0.8580912000000001 0.4102219600000000 0.6826737400000000 0.5146083900000000 0.3160593000000000 0.2548462700000000 0.7408949600000000 0.9505715800000000 0.4061882000000000 0.6941086200000000 0.3466939900000000 0.0150005400000000 0.0596144200000000 0.5891181599999999 0.7033417500000000 0.1572915800000000 0.7885686500000000 0.5852864099999999 0.9403855800000001 0.4108818400000000 0.2966582500000000 0.1572915800000000 0.7114313500000000 0.0852864100000000 0.8515619200000000 0.6522016400000000 0.1695666100000000 0.5777359500000000 0.7645648700000001 0.5105299500000000 0.8427084200000000 0.2885686500000000 0.9147135900000000 0.1419088000000000 0.5897780400000000 0.3173262600000000 0.0352715700000000 0.9526143700000000 0.3896789300000000 0.0596144200000000 0.9108818400000001 0.2033417500000000 0.5146083900000000 0.1839407000000000 0.7548462700000000 0.2724710800000000 0.2950489500000000 0.2515524400000000 0.4853916100000000 0.8160593000000000 0.2451537300000000 0.6370590300000001 0.5339018900000000 0.1812953400000000 0.8580912000000001 0.0897780400000000 0.1826737400000000 0.7408949600000000 0.5494284199999999 0.9061882000000000 0.3058913800000000 0.8466939900000000 0.4849994600000000 0.6941086200000000 0.1533060100000000 0.5150005400000000vasp-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