# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/79cf34b3-0cc1-417e-bc89-b25a243a8bf4/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 RbNaLi6(SiO4)2 / C2/m (12) / materials id 560653](https://mdr.nims.go.jp/datasets/54aafcbb-cf46-4450-8c46-f3ae07c93f13)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 8Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 48Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 16Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 64O 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 = 648.744200 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 Na Li Si O 1.0 15.6556376799999999 0.0000000000000000 0.0116283100000000 0.0000000000000000 6.3085724200000000 0.0000000000000000 -0.0733135400000000 0.0000000000000000 7.7789208399999996 Rb Na Li Si O 4 4 24 8 32Direct 0.2449128600000000 0.0000000000000000 0.9701139700000000 0.2550871400000000 0.5000000000000000 0.0298860300000000 0.7449128600000000 0.5000000000000000 0.9701139700000000 0.7550871400000000 0.0000000000000000 0.0298860300000000 0.5000000000000000 0.2480339800000000 0.5000000000000000 0.0000000000000000 0.2519660200000000 0.5000000000000000 0.0000000000000000 0.7480339800000000 0.5000000000000000 0.5000000000000000 0.7519660200000000 0.5000000000000000 0.1418348400000000 0.5000000000000000 0.3650092900000000 0.4272214200000000 0.2468997300000000 0.8723571400000000 0.1865206400000000 0.2574521000000000 0.6414063400000001 0.1865206400000000 0.7425478999999999 0.6414063400000001 0.3134793600000000 0.7574521000000000 0.3585936600000000 0.3134793600000000 0.2425479000000000 0.3585936600000000 0.4325474100000000 0.5000000000000000 0.2157309400000000 0.0727785800000000 0.7468997300000000 0.1276428600000000 0.3581651600000000 0.0000000000000000 0.6349907100000001 0.4272214200000000 0.7531002700000000 0.8723571400000000 0.0727785800000000 0.2531002700000000 0.1276428600000000 0.0674525900000000 0.0000000000000000 0.7842690600000000 0.6418348400000000 0.0000000000000000 0.3650092900000000 0.9272214200000000 0.7468997300000000 0.8723571400000000 0.6865206400000000 0.7574521000000000 0.6414063400000001 0.6865206400000000 0.2425479000000000 0.6414063400000001 0.8134793600000000 0.2574521000000000 0.3585936600000000 0.8134793600000000 0.7425478999999999 0.3585936600000000 0.9325474100000000 0.0000000000000000 0.2157309400000000 0.5727785800000000 0.2468997300000000 0.1276428600000000 0.8581651600000000 0.5000000000000000 0.6349907100000001 0.9272214200000000 0.2531002700000000 0.8723571400000000 0.5727785800000000 0.7531002700000000 0.1276428600000000 0.5674525900000000 0.5000000000000000 0.7842690600000000 0.3537991500000000 0.5000000000000000 0.6405864100000001 0.1462008500000000 0.0000000000000000 0.3594135900000000 0.4292146300000000 0.0000000000000000 0.2077609600000000 0.0707853700000000 0.5000000000000000 0.7922390400000000 0.8537991500000000 0.0000000000000000 0.6405864100000001 0.6462008500000000 0.5000000000000000 0.3594135900000000 0.9292146300000000 0.5000000000000000 0.2077609600000000 0.5707853700000001 0.0000000000000000 0.7922390400000000 0.3053585800000000 0.7198076500000000 0.7007699900000000 0.3984978400000000 0.7799565300000000 0.1103845000000000 0.1946414200000000 0.2198076500000000 0.2992300100000000 0.3678121100000000 0.5000000000000000 0.4308870100000000 0.3984978400000000 0.2200434700000000 0.1103845000000000 0.4485468500000000 0.5000000000000000 0.7366051700000000 0.0331401500000000 0.5000000000000000 0.2407697300000000 0.1159989300000000 0.5000000000000000 0.6007627300000000 0.3053585800000000 0.2801923500000000 0.7007699900000000 0.4668598500000000 0.0000000000000000 0.7592302700000000 0.1015021600000000 0.2799565300000000 0.8896155000000000 0.1015021600000000 0.7200434700000000 0.8896155000000000 0.1321878900000000 0.0000000000000000 0.5691129900000000 0.0514531500000000 0.0000000000000000 0.2633948300000000 0.3840010700000000 0.0000000000000000 0.3992372700000000 0.1946414200000000 0.7801923500000000 0.2992300100000000 0.8053585800000000 0.2198076500000000 0.7007699900000000 0.8984978400000000 0.2799565300000000 0.1103845000000000 0.6946414200000000 0.7198076500000000 0.2992300100000000 0.8678121100000000 0.0000000000000000 0.4308870100000000 0.8984978400000000 0.7200434700000000 0.1103845000000000 0.9485468500000001 0.0000000000000000 0.7366051700000000 0.5331401499999999 0.0000000000000000 0.2407697300000000 0.6159989299999999 0.0000000000000000 0.6007627300000000 0.8053585800000000 0.7801923500000000 0.7007699900000000 0.9668598500000000 0.5000000000000000 0.7592302700000000 0.6015021600000000 0.7799565300000000 0.8896155000000000 0.6015021600000000 0.2200434700000000 0.8896155000000000 0.6321878900000000 0.5000000000000000 0.5691129900000000 0.5514531499999999 0.5000000000000000 0.2633948300000000 0.8840010700000001 0.5000000000000000 0.3992372700000000 0.6946414200000000 0.2801923500000000 0.2992300100000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 648.744200 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 3 3 0.000 0.000 0.000