# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/73c978ab-093c-4283-9d98-a7bb9f470880/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 SbP2O7 / Pna2_1 (33) / materials id 561057](https://mdr.nims.go.jp/datasets/250d70c0-b6cb-4c5c-9d45-c80bc61c4f1d)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Sb 121.75000000 5.00000000 PAW_PBE Sb 06Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 56O 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. NPAR = 4vasp-settings/POSCAR-unitcell Sb P O 1.0 8.0468800999999992 0.0000000000000000 0.0000000000000000 0.0000000000000000 16.2684825099999983 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.0943102699999994 Sb P O 8 16 56Direct 0.4817560700000000 0.3785492400000000 0.7478435100000000 0.4836333000000000 0.1291462200000000 0.2266713100000000 0.0182439300000000 0.8785492400000000 0.2478435100000000 0.5182439300000000 0.6214507600000000 0.2478435100000000 0.5163667000000001 0.8708537800000000 0.7266713100000000 0.9817560700000000 0.1214507600000000 0.7478435100000000 0.0163667000000000 0.6291462200000000 0.7266713000000000 0.9836333000000000 0.3708537800000000 0.2266713000000000 0.5770481500000000 0.4296856500000000 0.3665749700000000 0.1245796100000000 0.5924653200000001 0.3453950000000000 0.6067378600000000 0.1881706900000000 0.6223762500000001 0.8909506000000000 0.1737846400000000 0.1283197700000000 0.0770481500000000 0.0703143500000000 0.3665749700000000 0.3932621400000000 0.8118293100000000 0.1223762500000000 0.1067378600000000 0.3118293100000000 0.6223762500000001 0.8932621400000000 0.6881706900000000 0.1223762500000000 0.8754203900000000 0.4075346800000000 0.8453950000000000 0.1090494000000000 0.8262153600000000 0.6283197700000001 0.6090494000000000 0.6737846400000000 0.6283197800000000 0.4229518500000000 0.5703143500000001 0.8665749700000001 0.9229518500000000 0.9296856500000000 0.8665749700000001 0.6245796100000001 0.9075346800000000 0.3453950000000000 0.3754203900000000 0.0924653200000000 0.8453950000000000 0.3909506000000000 0.3262153600000000 0.1283197800000000 0.2262634200000000 0.1247745900000000 0.3671419400000000 0.0055194200000000 0.8239655700000000 0.4656790000000000 0.9519659100000000 0.0911621800000000 0.2195276300000000 0.4519659100000000 0.4088378200000000 0.2195276300000000 0.5480340900000000 0.5911621800000000 0.7195276300000000 0.2918131900000000 0.8373191700000000 0.5947358100000000 0.9652534100000000 0.0732064900000000 0.5234987099999999 0.0788928500000000 0.2184689500000000 0.6400909500000000 0.7262634200000000 0.3752254100000000 0.3671419500000000 0.7081868099999999 0.1626808300000000 0.0947358100000000 0.7462731700000000 0.6650822199999999 0.2354158100000000 0.1988905700000000 0.0688078800000000 0.7758776300000000 0.2737365800000000 0.6247745900000000 0.8671419499999999 0.9762894900000000 0.4827001400000000 0.8738495100000000 0.8751683500000000 0.0209566900000000 0.8359309000000000 0.1248316500000000 0.9790433100000000 0.3359309000000000 0.5237105100000000 0.9827001400000001 0.3738495200000000 0.0237105100000000 0.5172998599999998 0.3738495100000000 0.7737365800000000 0.8752254100000000 0.8671419400000000 0.2537268300000000 0.3349177800000000 0.7354158100000000 0.9944805799999999 0.1760344300000000 0.9656790000000000 0.7537268300000000 0.1650822200000000 0.7354158100000000 0.0543523200000000 0.6452419800000000 0.1897659900000000 0.0480340900000000 0.9088378200000000 0.7195276300000000 0.1330777600000000 0.3357656400000000 0.4455199600000000 0.9416599300000000 0.2444079800000000 0.2402454200000000 0.9211071500000000 0.7815310500000000 0.1400909500000000 0.4211071500000000 0.7184689500000000 0.1400909600000000 0.5347465900000000 0.5732064900000000 0.0234987100000000 0.9456476800000000 0.3547580200000000 0.6897659899999999 0.6248316500000000 0.5209566900000000 0.3359309000000000 0.8669222400000001 0.6642343600000000 0.9455199600000000 0.4652534100000000 0.4267935100000000 0.5234987099999999 0.8011094300000000 0.9311921200000000 0.2758776300000000 0.4456476800000000 0.1452419700000000 0.6897660000000000 0.4944805800000000 0.3239655700000000 0.9656790000000000 0.6988905700000000 0.4311921200000000 0.7758776300000000 0.3011094300000000 0.5688078800000000 0.2758776300000000 0.4416599300000000 0.2555920200000000 0.2402454200000000 0.3751683500000000 0.4790433100000000 0.8359309000000000 0.5583400700000001 0.7444079800000001 0.7402454199999999 0.2081868000000000 0.3373191700000000 0.0947358200000000 0.1417019000000000 0.6526280500000000 0.4885399000000000 0.6417019100000000 0.8473719600000000 0.4885399100000000 0.3669222400000000 0.8357656400000000 0.9455199600000000 0.0583400700000000 0.7555920200000000 0.7402454199999999 0.2462731700000000 0.8349177800000001 0.2354158100000000 0.5055194200000002 0.6760344300000001 0.4656790000000000 0.0347465900000000 0.9267935100000000 0.0234987100000000 0.3582980900000000 0.1526280400000000 0.9885399100000000 0.7918132000000000 0.6626808300000000 0.5947358200000000 0.5543523200000000 0.8547580299999999 0.1897660000000000 0.4762894900000000 0.0172998600000000 0.8738495200000000 0.6330777599999999 0.1642343600000000 0.4455199600000000 0.5788928500000000 0.2815310500000000 0.6400909600000000 0.8582981000000001 0.3473719500000000 0.9885399000000000vasp-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 1 2 0.000 0.000 0.000