# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8592e91f-8b77-4394-a1f0-db17e2430dcc/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 Rb3YCl6 / C2/c (15) / materials id 574571](https://mdr.nims.go.jp/datasets/1c168303-fd3c-453c-8a56-09aa3063313b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 8Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 48Cl 35.45300000 7.00000000 PAW_PBE Cl 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 341.213600 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 Rb Y Cl 1.0 25.5089850200000008 0.0000000000000000 -0.0032028500000000 0.0000000000000000 7.9680596799999996 0.0000000000000000 -2.1053679900000000 0.0000000000000000 12.5808187900000004 Rb Y Cl 24 8 48Direct 0.5551257100000000 0.2788603700000000 0.9447359300000000 0.8368865599999999 0.8132633800000000 0.1940771300000000 0.8468954600000000 0.3182984500000000 0.3533255800000000 0.5551257100000000 0.7211396299999999 0.4447359300000000 0.6531045400000000 0.8182984500000000 0.1466744200000000 0.8468954600000000 0.6817015500000000 0.8533255800000000 0.9448742900000000 0.2211396300000000 0.0552640700000000 0.9448742900000000 0.7788603700000000 0.5552640700000000 0.8368865599999999 0.1867366200000000 0.6940771299999999 0.6631134400000001 0.6867366200000000 0.8059228700000001 0.6631134400000001 0.3132633800000000 0.3059228700000000 0.6531045400000000 0.1817015500000000 0.6466744200000001 0.0551257100000000 0.7788603700000000 0.9447359300000000 0.3368865600000000 0.3132633800000000 0.1940771300000000 0.3468954600000000 0.8182984500000000 0.3533255800000000 0.0551257100000000 0.2211396300000000 0.4447359300000000 0.1531045400000000 0.3182984500000000 0.1466744200000000 0.3468954600000000 0.1817015500000000 0.8533255800000000 0.4448742900000000 0.7211396299999999 0.0552640700000000 0.4448742900000000 0.2788603700000000 0.5552640700000000 0.3368865600000000 0.6867366200000000 0.6940771299999999 0.1631134400000000 0.1867366200000000 0.8059228700000001 0.1631134400000000 0.8132633800000000 0.3059228700000000 0.1531045400000000 0.6817015500000000 0.6466744200000001 0.0000000000000000 0.7957131800000000 0.2500000000000000 0.5000000000000000 0.7042868200000000 0.7500000000000000 0.7500000000000000 0.2500000000000000 0.0000000000000000 0.7500000000000000 0.7500000000000000 0.5000000000000000 0.5000000000000000 0.2957131800000000 0.2500000000000000 0.0000000000000000 0.2042868200000000 0.7500000000000000 0.2500000000000000 0.7500000000000000 0.0000000000000000 0.2500000000000000 0.2500000000000000 0.5000000000000000 0.8303371600000000 0.5544852900000000 0.5774393099999999 0.5624246100000000 0.0798345000000000 0.1788288800000000 0.8212757200000000 0.0313175300000000 0.9644458200000000 0.5624246100000000 0.9201655000000000 0.6788288800000000 0.7498185300000000 0.1146316200000000 0.1885316600000000 0.6787242800000000 0.4686824700000000 0.0355541800000000 0.6787242800000000 0.5313175299999999 0.5355541800000000 0.9375753900000000 0.4201655000000000 0.8211711200000000 0.5612990600000001 0.5425126600000000 0.2034021100000000 0.9387009400000000 0.0425126600000000 0.2965978900000000 0.8303371600000000 0.4455147100000000 0.0774393100000000 0.7501814700000000 0.6146316199999999 0.3114683400000000 0.6696628400000000 0.9455147100000000 0.4225606900000000 0.8212757200000000 0.9686824700000000 0.4644458200000000 0.9375753900000000 0.5798345000000000 0.3211711200000000 0.9433756000000000 0.7917782100000000 0.0608642500000000 0.9433756000000000 0.2082217900000000 0.5608642500000001 0.5566244000000000 0.2917782100000000 0.4391357500000000 0.7501814700000000 0.3853683800000000 0.8114683400000000 0.5612990600000001 0.4574873400000000 0.7034021100000001 0.9387009400000000 0.9574873400000000 0.7965978900000000 0.5566244000000000 0.7082217900000001 0.9391357500000000 0.6696628400000000 0.0544852900000000 0.9225606900000000 0.7498185300000000 0.8853683800000000 0.6885316600000000 0.3303371600000000 0.0544852900000000 0.5774393099999999 0.0624246100000000 0.5798345000000000 0.1788288800000000 0.3212757200000000 0.5313175299999999 0.9644458200000000 0.0624246100000000 0.4201655000000000 0.6788288800000000 0.2498185300000000 0.6146316199999999 0.1885316600000000 0.1787242800000000 0.9686824700000000 0.0355541800000000 0.1787242800000000 0.0313175300000000 0.5355541800000000 0.4375753900000000 0.9201655000000000 0.8211711200000000 0.0612990600000000 0.0425126600000000 0.2034021100000000 0.4387009400000000 0.5425126600000000 0.2965978900000000 0.3303371600000000 0.9455147100000000 0.0774393100000000 0.2501814700000000 0.1146316200000000 0.3114683400000000 0.1696628400000000 0.4455147100000000 0.4225606900000000 0.3212757200000000 0.4686824700000000 0.4644458200000000 0.4375753900000000 0.0798345000000000 0.3211711200000000 0.4433756000000000 0.2917782100000000 0.0608642500000000 0.4433756000000000 0.7082217900000001 0.5608642500000001 0.0566244000000000 0.7917782100000000 0.4391357500000000 0.2501814700000000 0.8853683800000000 0.8114683400000000 0.0612990600000000 0.9574873400000000 0.7034021100000001 0.4387009400000000 0.4574873400000000 0.7965978900000000 0.0566244000000000 0.2082217900000000 0.9391357500000000 0.1696628400000000 0.5544852900000000 0.9225606900000000 0.2498185300000000 0.3853683800000000 0.6885316600000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 341.213600 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 1 2 2 0.000 0.000 0.000