# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2a18b686-c783-4b0d-85d1-4785a33e5e18/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 RbSm(PO3)4 / C2/c (15) / materials id 18255](https://mdr.nims.go.jp/datasets/bcc38991-4235-4b38-89b2-4403956fab9b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 96O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 8Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 8Sm 150.36000000 11.00000000 PAW_PBE Sm_3 07Sep2000 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 Rb Sm 1.0 7.8882991599999999 0.0000000000000000 -0.0056590300000000 0.0000000000000000 12.7977851800000000 0.0000000000000000 -3.8529591600000002 0.0000000000000000 9.8837088400000006 O P Rb Sm 48 16 4 4Direct 0.5583244400000000 0.2476881700000000 0.6113929400000000 0.4416755600000000 0.2476881700000000 0.8886070600000000 0.4416755600000000 0.7523118300000000 0.3886070600000000 0.5583244400000000 0.7523118300000000 0.1113929400000000 0.2896449100000000 0.8054957899999999 0.8940490900000000 0.7103550900000000 0.8054957899999999 0.6059509100000000 0.7103550900000000 0.1945042100000000 0.1059509100000000 0.2896449100000000 0.1945042100000000 0.3940490900000000 0.1455684600000000 0.0081118000000000 0.9156924100000000 0.8544315400000000 0.0081118000000000 0.5843075900000000 0.8544315400000000 0.9918882000000000 0.0843075900000000 0.1455684600000000 0.9918882000000000 0.4156924100000000 0.3994392300000000 0.1266139000000000 0.0573801600000000 0.6005607700000000 0.1266139000000000 0.4426198400000000 0.6005607700000000 0.8733861000000001 0.9426198400000000 0.3994392300000000 0.8733861000000001 0.5573801600000000 0.5691117900000000 0.9331992400000000 0.4069879300000000 0.4308882100000000 0.9331992400000000 0.0930120700000000 0.4308882100000000 0.0668007600000000 0.5930120700000000 0.5691117900000000 0.0668007600000000 0.9069879300000000 0.2186337100000000 0.0372336900000000 0.1725812400000000 0.7813662900000000 0.0372336900000000 0.3274187600000000 0.7813662900000000 0.9627663100000000 0.8274187600000000 0.2186337100000000 0.9627663100000000 0.6725812400000000 0.0583244400000000 0.7476881700000000 0.6113929400000000 0.9416755600000000 0.7476881700000000 0.8886070600000000 0.9416755600000000 0.2523118300000000 0.3886070600000000 0.0583244400000000 0.2523118300000000 0.1113929400000000 0.7896449100000000 0.3054957900000000 0.8940490900000000 0.2103550900000000 0.3054957900000000 0.6059509100000000 0.2103550900000000 0.6945042100000001 0.1059509100000000 0.7896449100000000 0.6945042100000001 0.3940490900000000 0.6455684600000000 0.5081118000000000 0.9156924100000000 0.3544315400000000 0.5081118000000000 0.5843075900000000 0.3544315400000000 0.4918882000000000 0.0843075900000000 0.6455684600000000 0.4918882000000000 0.4156924100000000 0.8994392300000000 0.6266138999999999 0.0573801600000000 0.1005607700000000 0.6266138999999999 0.4426198400000000 0.1005607700000000 0.3733861000000000 0.9426198400000000 0.8994392300000000 0.3733861000000000 0.5573801600000000 0.0691117900000000 0.4331992400000000 0.4069879300000000 0.9308882100000000 0.4331992400000000 0.0930120700000000 0.9308882100000000 0.5668007600000000 0.5930120700000000 0.0691117900000000 0.5668007600000000 0.9069879300000000 0.7186337100000000 0.5372336900000000 0.1725812400000000 0.2813662900000000 0.5372336900000000 0.3274187600000000 0.2813662900000000 0.4627663100000000 0.8274187600000000 0.7186337100000000 0.4627663100000000 0.6725812400000000 0.2799548700000000 0.9749985900000000 0.5564365400000000 0.7200451299999999 0.9749985900000000 0.9435634600000000 0.7200451299999999 0.0250014100000000 0.4435634600000000 0.2799548700000000 0.0250014100000000 0.0564365400000000 0.5413902300000000 0.1658776800000000 0.9894256000000000 0.4586097700000000 0.1658776800000000 0.5105744000000000 0.4586097700000000 0.8341223200000000 0.0105744000000000 0.5413902300000000 0.8341223200000000 0.4894256000000000 0.7799548700000000 0.4749985900000000 0.5564365400000000 0.2200451300000000 0.4749985900000000 0.9435634600000000 0.2200451300000000 0.5250014100000000 0.4435634600000000 0.7799548700000000 0.5250014100000000 0.0564365400000000 0.0413902300000000 0.6658776800000000 0.9894256000000000 0.9586097700000000 0.6658776800000000 0.5105744000000000 0.9586097700000000 0.3341223200000000 0.0105744000000000 0.0413902300000000 0.3341223200000000 0.4894256000000000 0.5000000000000000 0.6892096400000001 0.7500000000000000 0.5000000000000000 0.3107903600000000 0.2500000000000000 0.0000000000000000 0.1892096400000000 0.7500000000000000 0.0000000000000000 0.8107903599999999 0.2500000000000000 0.5000000000000000 0.3784234900000000 0.7500000000000000 0.5000000000000000 0.6215765100000000 0.2500000000000000 0.0000000000000000 0.8784234900000000 0.7500000000000000 0.0000000000000000 0.1215765100000000 0.2500000000000000vasp-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 2 2 0.000 0.000 0.000