# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/15c8ac28-fb09-4862-b057-5869426db625/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 K3NdSi7O17 / P-3 (147) / materials id 559608](https://mdr.nims.go.jp/datasets/5daa15ee-02d7-45f6-9f71-4cc8cf8dd2a3)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 4Nd 144.24000000 11.00000000 PAW_PBE Nd_3 06Sep2000 28Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 68O 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. 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0.6498975499999999 0.2184568300000000 0.3737123300000000 0.1248686800000000 0.3737123300000000 0.1552555000000000 0.8751313200000000 0.8907098300000000 0.0219130600000000 0.1826694500000000 0.0388052100000000 0.6015735600000001 0.2561555700000000 0.6666666700000000 0.3333333300000000 0.6440359600000001 0.4436635300000000 0.0659214600000000 0.2383593100000000 0.1552555000000000 0.7815431700000000 0.1248686800000000 0.5612449300000000 0.2533170900000000 0.9366610500000000 0.7474275100000001 0.7299323400000000 0.6379051300000000 0.9299131500000000 0.8186563500000000 0.5469699099999998 0.4372316400000000 0.0388052100000000 0.7438444300000000 0.2700676600000000 0.0174951600000000 0.6379051300000000vasp-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 1 1 3 0.000 0.000 0.000