# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/64b5d9d1-3d82-49f3-8cd7-5a06631a3831/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 Sr(PO3)2 / P2_1/c (14) / materials id 3765](https://mdr.nims.go.jp/datasets/b91c122f-88cd-45e2-882b-b5d48527c116)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 96O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 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 O P Sr 1.0 7.1989766599999996 0.0000000000000000 0.0007808400000000 0.0000000000000000 7.9588213899999998 0.0000000000000000 -0.1676785000000000 0.0000000000000000 17.4465675500000010 O P Sr 48 16 8Direct 0.7392259800000001 0.6618757700000000 0.1147638100000000 0.2607740200000000 0.1618757700000000 0.3852361900000000 0.2607740200000000 0.3381242300000000 0.8852361900000000 0.7392259800000001 0.8381242300000000 0.6147638100000000 0.9137164600000000 0.4360421600000000 0.1896390800000000 0.0862835400000000 0.9360421600000000 0.3103609200000000 0.0862835400000000 0.5639578400000000 0.8103609200000000 0.9137164600000000 0.0639578400000000 0.6896390800000001 0.5675924200000000 0.4410912600000000 0.1935146800000000 0.4324075800000000 0.9410912600000000 0.3064853200000000 0.4324075800000000 0.5589087400000000 0.8064853200000000 0.5675924200000000 0.0589087400000000 0.6935146800000000 0.9145505700000000 0.6606290400000000 0.4641879300000000 0.0854494300000000 0.1606290400000000 0.0358120700000000 0.0854494300000000 0.3393709600000000 0.5358120700000000 0.9145505700000000 0.8393709600000000 0.9641879300000000 0.2694444600000000 0.0894524200000000 0.1555094800000000 0.6766967900000000 0.0522879400000000 0.0940684500000000 0.7305555400000000 0.5894524200000000 0.3444905200000000 0.2694444600000000 0.4105475800000000 0.6555094800000000 0.7364274000000000 0.3650395900000000 0.0696275200000000 0.2635726000000000 0.8650395900000000 0.4303724800000000 0.2635726000000000 0.6349604099999999 0.9303724799999999 0.7364274000000000 0.1349604100000000 0.5696275200000001 0.1611105400000000 0.8291232300000000 0.6813332700000000 0.8388894600000000 0.3291232300000000 0.8186667300000000 0.8388894600000000 0.1708767700000000 0.3186667300000000 0.1611105400000000 0.6708767700000000 0.1813332700000000 0.1990786900000000 0.0924984200000000 0.7663595400000001 0.8009213100000000 0.5924984200000001 0.7336404599999999 0.8009213100000000 0.9075015800000000 0.2336404600000000 0.1990786900000000 0.4075015800000000 0.2663595400000000 0.2079383000000000 0.1027504200000000 0.6182551400000000 0.7920617000000000 0.6027504200000000 0.8817448600000000 0.7920617000000000 0.8972495800000000 0.3817448600000000 0.2079383000000000 0.3972495800000000 0.1182551400000000 0.6917485800000001 0.3220139200000000 0.4574472100000000 0.3082514200000000 0.8220139200000001 0.0425527900000000 0.3082514200000000 0.6779860799999999 0.5425527900000000 0.6917485800000001 0.1779860800000000 0.9574472100000000 0.4225385200000000 0.2588420500000000 0.5404264700000000 0.5774614800000000 0.7588420499999999 0.9595735300000000 0.5774614800000000 0.7411579500000001 0.4595735300000000 0.4225385200000000 0.2411579500000000 0.0404264700000000 0.6766967900000000 0.4477120600000000 0.5940684500000000 0.3233032100000000 0.9477120600000000 0.9059315500000000 0.3233032100000000 0.5522879400000000 0.4059315500000000 0.7305555400000000 0.9105475800000000 0.8444905200000000 0.2406665500000000 0.2090128600000000 0.0897240400000000 0.7593334500000000 0.7090128600000001 0.4102759600000000 0.7593334500000000 0.7909871400000000 0.9102759600000000 0.2406665500000000 0.2909871400000000 0.5897240400000000 0.6391015099999999 0.1951668600000000 0.0398789000000000 0.3608984900000000 0.6951668600000001 0.4601211000000000 0.3608984900000000 0.8048331399999999 0.9601210999999999 0.6391015099999999 0.3048331400000000 0.5398789000000002 0.1302230100000000 0.4863811800000000 0.1937413200000000 0.8697769900000000 0.9863811800000000 0.3062586800000000 0.8697769900000000 0.5136188200000000 0.8062586800000000 0.1302230100000000 0.0136188200000000 0.6937413200000000 0.7280860400000000 0.4843689300000000 0.1435140200000000 0.2719139600000000 0.9843689300000000 0.3564859800000000 0.2719139600000000 0.5156310700000000 0.8564859800000000 0.7280860400000000 0.0156310700000000 0.6435140200000000 0.5172942300000001 0.3423687300000000 0.3266967200000000 0.4827057700000000 0.8423687300000000 0.1733032800000000 0.4827057700000000 0.6576312700000000 0.6733032800000001 0.5172942300000001 0.1576312700000000 0.8266967199999999 0.9816085400000000 0.8834298500000000 0.1033234400000000 0.0183914600000000 0.3834298500000000 0.3966765600000000 0.0183914600000000 0.1165701500000000 0.8966765600000000 0.9816085400000000 0.6165701500000000 0.6033234400000000vasp-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 2 1 0.000 0.000 0.000