# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/177ea10c-fbac-4938-b5f5-f32081c16a54/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 P / P2/c (13) / materials id 568348](https://mdr.nims.go.jp/datasets/336af6ac-7434-4f54-a54e-8510662f1289)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  84</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 331.552000     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 P   1.0     9.1700734100000005    0.0000000000000000   -0.0518988900000000     0.0000000000000000    9.1004784599999997    0.0000000000000000    -6.0034796000000004    0.0000000000000000   21.3828957499999994 P  84Direct   0.0420740300000000  0.6121220700000001  0.0699459000000000   0.2524213600000000  0.6022450300000000  0.0407591400000000   0.3027398200000000  0.1968425000000000  0.6807181300000000   0.0005569900000000  0.8449077200000000  0.4577791400000000   0.4840313800000000  0.3632989000000000  0.4704570000000000   0.7881083100000000  0.8646917700000000  0.0714458700000000   0.0719509800000000  0.2232752600000000  0.3854562800000000   0.7991852699999999  0.6705757900000000  0.6724021400000000   0.8518244000000000  0.6134063199999999  0.3284685000000000   0.1405309400000000  0.9028494100000000  0.3266344300000000   0.6903505500000000  0.3702906100000000  0.4376788000000000   0.8249878800000000  0.0282646500000000  0.8844016100000001   0.0509540600000000  0.0560297900000000  0.1804204900000000   0.6972601800000000  0.1968425000000000  0.8192818700000000   0.5715127099999999  0.5602672300000000  0.1704184700000000   0.0543096200000000  0.6790505800000000  0.3002404100000000   0.2118916900000000  0.8646917700000000  0.4285541300000000   0.8594690600000000  0.0971505900000000  0.6733655700000001   0.5159686200000000  0.3632989000000000  0.0295430000000000   0.4840313800000000  0.6367011000000000  0.9704570000000000   0.1750121200000000  0.9717353500000000  0.1155983900000000   0.5377260600000000  0.1352917100000000  0.0649800400000000   0.1750121200000000  0.0282646500000000  0.6155983899999999   0.3081861600000000  0.4946338400000000  0.3986824000000000   0.0509540600000000  0.9439702100000000  0.6804204899999999   0.4265517400000000  0.2696678400000000  0.6141535200000000   0.9490459400000000  0.9439702100000000  0.8195795100000001   0.5715127099999999  0.4397327700000000  0.6704184700000000   0.9579259700000000  0.3878779300000000  0.9300541000000000   0.8518244000000000  0.3865936800000000  0.8284685000000001   0.7475786400000000  0.6022450300000000  0.4592408600000000   0.5377260600000000  0.8647082900000000  0.5649800400000000   0.4284872900000000  0.4397327700000000  0.8295815300000000   0.4265517400000000  0.7303321600000000  0.1141535200000000   0.8249878800000000  0.9717353500000000  0.3844016100000000   0.5774933400000000  0.3634664300000000  0.3344295400000000   0.4225066600000000  0.6365335700000000  0.6655704600000000   0.4622739400000000  0.1352917100000000  0.4350199600000000   0.4622739400000000  0.8647082900000000  0.9350199600000000   0.5993107100000000  0.1837889400000000  0.1674252700000000   0.0420740300000000  0.3878779300000000  0.5699459000000000   0.9994430100000000  0.8449077200000000  0.0422208600000000   0.9456903800000001  0.3209494200000000  0.6997595900000000   0.5993107100000000  0.8162110600000000  0.6674252700000001   0.0005569900000000  0.1550922800000000  0.9577791400000000   0.5774933400000000  0.6365335700000000  0.8344295400000000   0.3096494500000000  0.3702906100000000  0.0623212000000000   0.2524213600000000  0.3977549700000000  0.5407591400000000   0.2008147300000000  0.6705757900000000  0.8275978600000000   0.7475786400000000  0.3977549700000000  0.9592408600000000   0.9280490200000000  0.2232752600000000  0.1145437200000000   0.9280490200000000  0.7767247400000000  0.6145437200000000   0.3027398200000000  0.8031575000000000  0.1807181300000000   0.2008147300000000  0.3294242100000000  0.3275978600000000   0.5159686200000000  0.6367011000000000  0.5295430000000000   0.9456903800000001  0.6790505800000000  0.1997595900000000   0.6918138400000000  0.4946338400000000  0.1013176000000000   0.0719509800000000  0.7767247400000000  0.8854562800000000   0.4225066600000000  0.3634664300000000  0.1655704600000000   0.5734482599999999  0.2696678400000000  0.8858464800000000   0.1405309400000000  0.0971505900000000  0.8266344300000000   0.5734482599999999  0.7303321600000000  0.3858464800000000   0.4284872900000000  0.5602672300000000  0.3295815300000000   0.7515365600000000  0.9049393300000000  0.5418218600000000   0.6903505500000000  0.6297093899999999  0.9376788000000000   0.0543096200000000  0.3209494200000000  0.8002404100000000   0.7991852699999999  0.3294242100000000  0.1724021400000000   0.1481756000000000  0.6134063199999999  0.1715315000000000   0.7515365600000000  0.0950606700000000  0.0418218600000000   0.3096494500000000  0.6297093899999999  0.5623212000000000   0.8594690600000000  0.9028494100000000  0.1733655700000000   0.4006892900000000  0.1837889400000000  0.3325747300000000   0.2118916900000000  0.1353082300000000  0.9285541300000000   0.3081861600000000  0.5053661600000000  0.8986824000000000   0.6918138400000000  0.5053661600000000  0.6013176000000000   0.2484634400000000  0.0950606700000000  0.4581781400000000   0.7881083100000000  0.1353082300000000  0.5714458700000000   0.4006892900000000  0.8162110600000000  0.8325747300000000   0.9994430100000000  0.1550922800000000  0.5422208600000000   0.2484634400000000  0.9049393300000000  0.9581781400000000   0.1481756000000000  0.3865936800000000  0.6715314999999999   0.9490459400000000  0.0560297900000000  0.3195795100000000   0.6972601800000000  0.8031575000000000  0.3192818700000000   0.9579259700000000  0.6121220700000001  0.4300541000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 331.552000     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     2     1 0.000 0.000 0.000