# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ad3b7830-3903-4b5d-bfb1-d1fc3d5a1651/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 Na5InO4 / Pbca (61) / materials id 14493](https://mdr.nims.go.jp/datasets/8436b0a6-3fa1-49a0-ad4f-f46d5d2b4f29)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 32O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 40Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 8In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 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 Na In 1.0 10.5606366699999992 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.7688147700000005 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.6989602099999992 O Na In 32 40 8Direct 0.5102842599999999 0.0118400500000000 0.7474319500000000 0.0102842600000000 0.4881599500000000 0.2525680500000000 0.9897157400000000 0.9881599500000000 0.2474319500000000 0.4897157400000000 0.5118400500000000 0.7525680500000000 0.4897157400000000 0.9881599500000000 0.2525680500000000 0.9897157400000000 0.5118400500000000 0.7474319500000000 0.0102842600000000 0.0118400500000000 0.7525680500000000 0.5102842599999999 0.4881599500000000 0.2474319500000000 0.2374469400000000 0.5440752000000000 0.5149133900000000 0.7374469400000000 0.9559248000000000 0.4850866100000000 0.2625530600000000 0.4559248000000000 0.0149133900000000 0.7625530600000000 0.0440752000000000 0.9850866100000000 0.7625530600000000 0.4559248000000000 0.4850866100000000 0.2625530600000000 0.0440752000000000 0.5149133900000000 0.7374469400000000 0.5440752000000000 0.9850866100000000 0.2374469400000000 0.9559248000000000 0.0149133900000000 0.7681312700000000 0.2569641800000000 0.2524100200000000 0.2681312700000000 0.2430358200000000 0.7475899800000000 0.7318687300000000 0.7430358200000000 0.7524100200000000 0.2318687300000000 0.7569641800000000 0.2475899800000000 0.2318687300000000 0.7430358200000000 0.7475899800000000 0.7318687300000000 0.7569641800000000 0.2524100200000000 0.2681312700000000 0.2569641800000000 0.2475899800000000 0.7681312700000000 0.2430358200000000 0.7524100200000000 0.9997452300000000 0.2557718900000000 0.4563879500000000 0.4997452300000000 0.2442281100000000 0.5436120500000000 0.5002547700000000 0.7442281100000000 0.9563879500000000 0.0002547700000000 0.7557718900000000 0.0436120500000000 0.0002547700000000 0.7442281100000000 0.5436120500000000 0.5002547700000000 0.7557718900000000 0.4563879500000000 0.4997452300000000 0.2557718900000000 0.0436120500000000 0.9997452300000000 0.2442281100000000 0.9563879500000000 0.1033967500000000 0.3382712900000000 0.1191873800000000 0.6033967499999999 0.1617287100000000 0.8808126200000000 0.3966032500000000 0.6617287100000000 0.6191873800000001 0.8966032500000000 0.8382712900000000 0.3808126200000000 0.8966032500000000 0.6617287100000000 0.8808126200000000 0.3966032500000000 0.8382712900000000 0.1191873800000000 0.6033967499999999 0.3382712900000000 0.3808126200000000 0.1033967500000000 0.1617287100000000 0.6191873800000001 0.6432689600000000 0.8966805000000000 0.8870339500000000 0.1432689600000000 0.6033195000000000 0.1129660500000000 0.8567310400000000 0.1033195000000000 0.3870339500000000 0.3567310400000000 0.3966805000000000 0.6129660500000000 0.3567310400000000 0.1033195000000000 0.1129660500000000 0.8567310400000000 0.3966805000000000 0.8870339500000000 0.1432689600000000 0.8966805000000000 0.6129660500000000 0.6432689600000000 0.6033195000000000 0.3870339500000000 0.5945567000000000 0.8526759300000000 0.6242685800000001 0.0945567000000000 0.6473240700000000 0.3757314200000000 0.9054433000000000 0.1473240700000000 0.1242685800000000 0.4054433000000000 0.3526759300000000 0.8757314200000000 0.4054433000000000 0.1473240700000000 0.3757314200000000 0.9054433000000000 0.3526759300000000 0.6242685800000001 0.0945567000000000 0.8526759300000000 0.8757314200000000 0.5945567000000000 0.6473240700000000 0.1242685800000000 0.6666797600000001 0.3827260700000000 0.1064900600000000 0.1666797600000000 0.1172739300000000 0.8935099399999999 0.8333202399999999 0.6172739300000001 0.6064900600000001 0.3333202400000000 0.8827260700000000 0.3935099400000000 0.3333202400000000 0.6172739300000001 0.8935099399999999 0.8333202399999999 0.8827260700000000 0.1064900600000000 0.1666797600000000 0.3827260700000000 0.3935099400000000 0.6666797600000001 0.1172739300000000 0.6064900600000001 0.1322945000000000 0.3819481300000000 0.8492946700000000 0.6322945000000000 0.1180518700000000 0.1507053300000000 0.3677055000000000 0.6180518699999999 0.3492946700000000 0.8677055000000000 0.8819481300000001 0.6507053300000001 0.8677055000000000 0.6180518699999999 0.1507053300000000 0.3677055000000000 0.8819481300000001 0.8492946700000000 0.6322945000000000 0.3819481300000000 0.6507053300000001 0.1322945000000000 0.1180518700000000 0.3492946700000000 0.8849690700000000 0.3781353200000000 0.3523805200000000 0.3849690700000000 0.1218646800000000 0.6476194800000000 0.6150309300000000 0.6218646800000001 0.8523805200000000 0.1150309300000000 0.8781353199999999 0.1476194800000000 0.1150309300000000 0.6218646800000001 0.6476194800000000 0.6150309300000000 0.8781353199999999 0.3523805200000000 0.3849690700000000 0.3781353200000000 0.1476194800000000 0.8849690700000000 0.1218646800000000 0.8523805200000000vasp-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