# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a0ca8430-c219-4e84-904e-e31276f9b485/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 LaCd(BO2)5 / P2_1/c (14) / materials id 14555](https://mdr.nims.go.jp/datasets/d75963f6-5b24-45fc-a42b-2266e396239d)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 80O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 8Cd 112.41100000 12.00000000 PAW_PBE Cd 06Sep2000 8La 138.90000000 11.00000000 PAW_PBE La 06Sep2000 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 B O Cd La 1.0 8.7633965499999995 0.0000000000000000 0.0355715000000000 0.0000000000000000 7.8982629900000001 0.0000000000000000 -8.5548848599999996 0.0000000000000000 9.5910586799999997 B O Cd La 20 40 4 4Direct 0.8382164100000000 0.4221848200000000 0.7554696400000001 0.9749850500000000 0.8236757500000000 0.4080814800000000 0.0250149500000000 0.3236757500000000 0.0919185200000000 0.0250149500000000 0.1763242500000000 0.5919185200000000 0.9749850500000000 0.6763242500000000 0.9080814800000000 0.6464708800000001 0.1041448200000000 0.9971320700000000 0.3535291200000000 0.6041448200000000 0.5028679300000001 0.3535291200000000 0.8958551800000000 0.0028679300000000 0.6464708800000001 0.3958551800000000 0.4971320700000000 0.1617835900000000 0.9221848200000000 0.7445303599999999 0.1617835900000000 0.5778151800000000 0.2445303600000000 0.8382164100000000 0.0778151800000000 0.2554696400000000 0.4170742900000000 0.6733844099999999 0.8995111200000000 0.5829257100000000 0.1733844100000000 0.6004888800000000 0.5829257100000000 0.3266155900000000 0.1004888800000000 0.4170742900000000 0.8266155900000001 0.3995111200000000 0.2249011300000000 0.4702207000000000 0.9435516700000000 0.7750988700000000 0.9702207000000000 0.5564483300000000 0.7750988700000000 0.5297793000000000 0.0564483300000000 0.2249011300000000 0.0297793000000000 0.4435516700000000 0.3044271400000000 0.7871668500000000 0.7742167799999999 0.0788397000000000 0.3327276300000000 0.5773642299999999 0.9211603000000000 0.8327276299999999 0.9226357700000000 0.9211603000000000 0.6672723700000001 0.4226357700000000 0.0788397000000000 0.1672723700000000 0.0773642300000000 0.3767091600000000 0.5549744300000000 0.6138330100000000 0.6232908400000000 0.0549744300000000 0.8861669900000000 0.6232908400000000 0.4450255700000000 0.3861669900000000 0.6955728600000000 0.2871668500000000 0.7257832200000001 0.3767091600000000 0.9450255700000000 0.1138330100000000 0.3044271400000000 0.7128331500000000 0.2742167800000000 0.6955728600000000 0.2128331500000000 0.2257832200000000 0.7937634099999999 0.4656856300000000 0.6259520800000000 0.2062365900000000 0.9656856300000000 0.8740479200000000 0.2062365900000000 0.5343143699999999 0.3740479200000000 0.7937634099999999 0.0343143700000000 0.1259520800000000 0.8112496200000000 0.5773625300000000 0.8048866400000000 0.1887503800000000 0.0773625300000000 0.6951133600000000 0.1887503800000000 0.4226374700000000 0.1951133600000000 0.8112496200000000 0.9226374700000000 0.3048866400000000 0.0477978000000000 0.3594480300000000 0.8583750600000000 0.9522022000000000 0.8594480300000000 0.6416249400000000 0.9522022000000000 0.6405519700000000 0.1416249400000000 0.0477978000000000 0.1405519700000000 0.3583750600000000 0.2792044200000000 0.5296835200000001 0.8614653600000000 0.7207955800000000 0.0296835200000000 0.6385346400000000 0.7207955800000000 0.4703164800000000 0.1385346400000000 0.2792044200000000 0.9703164800000000 0.3614653600000000 0.5963378500000001 0.6098529600000000 0.9225717700000000 0.4036621500000000 0.1098529600000000 0.5774282300000000 0.4036621500000000 0.3901470400000000 0.0774282300000000 0.1724125400000000 0.8781974400000000 0.4860573900000000 0.4776446600000000 0.7685866200000000 0.0196921700000000 0.5223553399999998 0.2685866200000000 0.4803078300000000 0.5223553399999998 0.2314133800000000 0.9803078300000000 0.4776446600000000 0.7314133800000000 0.5196921700000000 0.1724125400000000 0.6218025600000000 0.9860573900000000 0.8275874599999999 0.1218025600000000 0.5139426100000000 0.8275874599999999 0.3781974400000000 0.0139426100000000 0.5963378500000001 0.8901470400000000 0.4225717700000000 0.0177550600000000 0.5908890099999999 0.6257098400000001 0.9822449400000000 0.0908890100000000 0.8742901600000000 0.9822449400000000 0.4091109900000000 0.3742901600000000 0.0177550600000000 0.9091109900000000 0.1257098400000000 0.5447170299999999 0.8234937099999999 0.7345636500000000 0.4552829700000000 0.3234937100000000 0.7654363500000000 0.4552829700000000 0.1765062900000000 0.2654363500000000 0.5447170299999999 0.6765062900000001 0.2345636500000000vasp-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 2 0.000 0.000 0.000