# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d247f8f7-dc1f-42ec-9bc2-dd5a618d4982/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 Sn5P6O25 / R-3 (148) / materials id 769187](https://mdr.nims.go.jp/datasets/7a8f020c-3574-4598-a8a6-c02b783ba7fb)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 15Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 75O 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 Sn P O 1.0 8.3990825800000000 0.0000000000000000 0.0000000000000000 -4.1995413099999999 7.2738188900000003 0.0000000000000000 0.0000000000000000 0.0000000000000000 26.4338244399999986 Sn P O 15 18 75Direct 0.6666666700000000 0.3333333300000000 0.1597131100000000 0.0000000000000000 0.0000000000000000 0.1736202200000000 0.3333333300000000 0.6666666700000000 0.2379599300000000 0.3333333300000000 0.6666666700000000 0.0953734000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.3333333300000000 0.6666666700000000 0.4930464500000000 0.6666666700000000 0.3333333300000000 0.5069535500000000 0.0000000000000000 0.0000000000000000 0.5712932700000000 0.0000000000000000 0.0000000000000000 0.4287067300000000 0.6666666700000000 0.3333333300000000 0.3333333300000000 0.0000000000000000 0.0000000000000000 0.8263797800000000 0.3333333300000000 0.6666666700000000 0.8402868900000000 0.6666666700000000 0.3333333300000000 0.9046266000000001 0.6666666700000000 0.3333333300000000 0.7620400700000001 0.3333333300000000 0.6666666700000000 0.6666666700000000 0.9730742900000000 0.7062834300000000 0.0896569100000000 0.9334575300000000 0.3064076200000000 0.2436764200000000 0.3729501000000000 0.0665424700000000 0.2436764200000000 0.2937165700000000 0.2667908600000000 0.0896569100000000 0.7332091400000000 0.0269257100000000 0.0896569100000000 0.6935923800000000 0.6270499000000000 0.2436764200000000 0.6397409500000000 0.0396167600000000 0.4229902400000000 0.6001242000000000 0.6397409500000000 0.5770097599999999 0.0396167600000000 0.3998758000000000 0.5770097599999999 0.9603832400000000 0.6001242000000000 0.4229902400000000 0.3998758000000000 0.3602590500000000 0.4229902400000000 0.3602590500000000 0.9603832400000000 0.5770097599999999 0.3064076200000000 0.3729501000000000 0.7563235800000000 0.2667908600000000 0.9730742900000000 0.9103430900000000 0.7062834300000000 0.7332091400000000 0.9103430900000000 0.6270499000000000 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0.1283165900000000 0.9129253300000000 0.7708828500000000 0.0432062100000000 0.5305850000000000 0.9001491200000000 0.0695156100000000 0.3695641300000000 0.4694150000000000 0.0695156100000000 0.7529272900000000 0.2000499900000000 0.1138056100000000 0.2195439700000000 0.0862606200000000 0.2195277200000000 0.5668157899999999 0.7028974600000000 0.2638177200000000 0.8579575300000000 0.0870746700000000 0.0432062100000000 0.7705119600000000 0.9108566100000000 0.1283165900000000 0.5775232800000001 0.4736779800000000 0.2050167400000000 0.4375495200000000 0.1912908600000000 0.2901271200000000 0.8957838200000000 0.4753758000000000 0.3765395500000000 0.7558100600000000 0.1929886900000000 0.4616499300000000 0.5628213799999999 0.7558100600000000 0.5383500700000000 0.4753758000000000 0.5795920000000000 0.6234604500000001 0.7665175399999999 0.9637692100000000 0.4028489500000000 0.1137893600000000 0.5804060500000000 0.4471389500000000 0.5804060500000000 0.4666166800000000 0.5528610500000000 0.9637692100000000 0.1972516600000000 0.5971510500000000 0.8027483399999999 0.7665175399999999 0.5971510500000000 0.4204080000000000 0.8957838200000000 0.6234604500000001 0.1929886900000000 0.4371786200000000 0.5383500700000000 0.5333833200000000 0.1137893600000000 0.5528610500000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.4666166800000000 0.8862106400000000 0.4471389500000000 0.8070113100000000 0.5628213799999999 0.4616499300000000 0.5795920000000000 0.1042161800000000 0.3765395500000000 0.1972516600000000 0.2334824600000000 0.4028489500000000 0.0362307900000000 0.8027483399999999 0.4028489500000000 0.4195939500000000 0.5333833200000000 0.4471389500000000 0.8862106400000000 0.4195939500000000 0.5528610500000000 0.2334824600000000 0.0362307900000000 0.5971510500000000 0.5246242000000000 0.4204080000000000 0.3765395500000000 0.4371786200000000 0.2441899400000000 0.4616499300000000 0.2441899400000000 0.8070113100000000 0.5383500700000000 0.1042161800000000 0.5246242000000000 0.6234604500000001 0.5624504800000000 0.8087091399999999 0.7098728800000000 0.4224767200000000 0.5263220199999998 0.7949832600000000 0.2294880400000000 0.0891433900000000 0.8716834099999999 0.1420424700000000 0.9129253300000000 0.9567937900000000 0.4331842100000000 0.2971025400000000 0.7361822800000000 0.7804560300000000 0.9137393800000000 0.7804722800000000 0.2470727100000000 0.7999500100000000 0.8861943900000000 0.6304358700000000 0.5305850000000000 0.9304843899999999 0.4694150000000000 0.0998508800000000 0.9304843899999999 0.0870746700000000 0.2291171500000000 0.9567937900000000 0.8596553600000000 0.7705119600000000 0.8716834099999999 0.2000499900000000 0.4471226900000000 0.8861943900000000 0.6666666700000000 0.3333333300000000 0.8333333300000000 0.1332833400000000 0.2195439700000000 0.7804722800000000 0.4736779800000000 0.8961547100000000 0.7949832600000000 0.2462586700000000 0.4375495200000000 0.7098728800000000 0.8639183300000000 0.5668157899999999 0.7361822800000000 0.7028974600000000 0.1360816700000000 0.7361822800000000 0.0862606200000000 0.8667166600000000 0.7804722800000000 0.5528773100000000 0.7529272900000000 0.8861943900000000 0.9001491200000000 0.3695641300000000 0.9304843899999999 0.1912908600000000 0.7537413300000000 0.7098728800000000 0.1038452900000000 0.5775232800000001 0.7949832600000000 0.9108566100000000 0.1403446400000000 0.8716834099999999 0.7708828500000000 0.8579575300000000 0.9567937900000000vasp-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 3 1 0.000 0.000 0.000