# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ff7c4afd-267c-4872-a558-97a2c212229b/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 La3B2N5 / P2_1/c (14) / materials id 29990](https://mdr.nims.go.jp/datasets/ba69fe3d-0062-4da8-a333-cc5cb3074d4d)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 40N 14.00100000 5.00000000 PAW_PBE N 08Apr2002 24La 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 N La 1.0 9.5985004299999996 0.0000000000000000 0.0033981400000000 0.0000000000000000 14.6436463000000003 0.0000000000000000 0.0025490700000000 0.0000000000000000 7.5725371499999996 B N La 16 40 24Direct 0.9399097800000000 0.1430088700000000 0.0349723500000000 0.0600902200000000 0.6430088700000001 0.4650276500000000 0.0600902200000000 0.8569911299999999 0.9650276500000000 0.9399097800000000 0.3569911300000000 0.5349723500000000 0.2716530800000000 0.8930490500000000 0.1238634500000000 0.7283469200000000 0.3930490500000000 0.3761365500000000 0.7283469200000000 0.1069509500000000 0.8761365500000000 0.2716530800000000 0.6069509500000000 0.6238634500000000 0.9402739600000000 0.3531512000000000 0.2200614900000000 0.0597260400000000 0.8531512000000000 0.2799385100000000 0.0597260400000000 0.6468488000000000 0.7799385100000000 0.9402739600000000 0.1468488000000000 0.7200614900000000 0.5940036700000000 0.7513993300000000 0.6236265999999999 0.4059963300000000 0.2513993300000000 0.8763734000000000 0.4059963300000000 0.2486006700000000 0.3763734000000000 0.5940036700000000 0.7486006700000001 0.1236266000000000 0.0256598500000000 0.1010739000000000 0.1646352100000000 0.9743401500000000 0.6010739000000000 0.3353647900000000 0.9743401500000000 0.8989261000000000 0.8353647900000000 0.0256598500000000 0.3989261000000000 0.6646352099999999 0.2137360000000000 0.8577624900000000 0.2925155400000000 0.7862640000000000 0.3577624900000000 0.2074844600000000 0.7862640000000000 0.1422375100000000 0.7074844600000000 0.2137360000000000 0.6422375100000000 0.7925155400000000 0.2140890700000000 0.8604783100000000 0.9526767100000000 0.7859109300000000 0.3604783100000000 0.5473232900000000 0.7859109300000000 0.1395216900000000 0.0473232900000000 0.2140890700000000 0.6395216900000000 0.4526767100000000 0.4430982100000000 0.7630247000000000 0.6214692300000000 0.5569017900000000 0.2630247000000000 0.8785307700000000 0.5569017900000000 0.2369753000000000 0.3785307700000000 0.4430982100000000 0.7369753000000000 0.1214692300000000 0.0268337200000000 0.1087584100000000 0.5869870500000001 0.9731662800000001 0.6087584100000001 0.9130129500000000 0.9731662800000001 0.8912415900000000 0.4130129500000000 0.0268337200000000 0.3912415900000000 0.0869870500000000 0.3376777200000000 0.1609963500000000 0.8784908300000001 0.6623222799999999 0.6609963500000000 0.6215091699999999 0.6623222799999999 0.8390036500000000 0.1215091700000000 0.3376777200000000 0.3390036500000000 0.3784908300000000 0.6572763200000000 0.0213863300000000 0.3687161800000000 0.3427236800000000 0.5213863300000000 0.1312838200000000 0.3427236800000000 0.9786136700000000 0.6312838199999999 0.6572763200000000 0.4786136700000000 0.8687161800000001 0.3155466300000000 0.1667942100000000 0.3728716300000000 0.6844533699999999 0.6667942099999999 0.1271283700000000 0.6844533699999999 0.8332057900000001 0.6271283700000000 0.3155466300000000 0.3332057900000000 0.8728716300000000 0.6368367900000000 0.0286297700000000 0.8758364100000000 0.3631632100000000 0.5286297700000000 0.6241635900000000 0.3631632100000000 0.9713702300000000 0.1241635900000000 0.6368367900000000 0.4713702300000000 0.3758364100000000 0.0078182800000000 0.1867216700000000 0.8788843200000001 0.9921817200000000 0.6867216700000001 0.6211156799999999 0.9921817200000000 0.8132783299999999 0.1211156800000000 0.0078182800000000 0.3132783300000000 0.3788843200000000 0.1990662600000000 0.8075067499999999 0.6219425599999999 0.8009337400000001 0.3075067500000000 0.8780574400000000 0.8009337400000001 0.1924932500000000 0.3780574400000000 0.1990662600000000 0.6924932500000001 0.1219425600000000 0.4886528700000000 0.8874939100000000 0.8701451500000000 0.5113471300000000 0.3874939100000000 0.6298548500000001 0.5113471300000000 0.1125060900000000 0.1298548500000000 0.4886528700000000 0.6125060900000000 0.3701451500000000 0.1810786800000000 0.0337356600000000 0.8628952800000000 0.8189213200000001 0.5337356599999998 0.6371047200000000 0.8189213200000001 0.9662643400000001 0.1371047200000000 0.1810786800000000 0.4662643400000000 0.3628952800000000 0.4951080600000000 0.8894024100000000 0.3766194400000000 0.5048919400000000 0.3894024100000000 0.1233805600000000 0.5048919400000000 0.1105975900000000 0.6233805600000000 0.4951080600000000 0.6105975900000000 0.8766194400000000 0.1739327300000000 0.2471961800000000 0.1241432000000000 0.8260672700000000 0.7471961800000000 0.3758568000000000 0.8260672700000000 0.7528038200000000 0.8758568000000000 0.1739327300000000 0.2528038200000000 0.6241432000000000 0.1753604300000000 0.0291418600000000 0.3826141000000000 0.8246395700000000 0.5291418600000000 0.1173859000000000 0.8246395700000000 0.9708581400000000 0.6173858999999999 0.1753604300000000 0.4708581400000000 0.8826141000000000vasp-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 3 0.000 0.000 0.000