# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/160c8a7b-5b25-4d0d-8014-a93357a79e0f/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 Ho2P4O13 / C2/c (15) / materials id 779522](https://mdr.nims.go.jp/datasets/63b2cb1d-e127-4d5a-93e6-dfc19954a020)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Ho 164.93000000 9.00000000 PAW_PBE Ho_3 06Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 52O 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 Ho P O 1.0 11.7699691299999998 0.0000000000000000 -0.0795712100000000 0.0000000000000000 6.7070940500000003 0.0000000000000000 -3.6312852800000002 0.0000000000000000 12.2906167899999996 Ho P O 8 16 52Direct 0.6911941800000000 0.0028736300000000 0.5477963600000000 0.6911941800000000 0.9971263700000000 0.0477963600000000 0.8088058200000000 0.5028736300000001 0.9522036400000000 0.8088058200000000 0.4971263700000000 0.4522036400000000 0.1911941800000000 0.5028736300000001 0.5477963600000000 0.1911941800000000 0.4971263700000000 0.0477963600000000 0.3088058200000000 0.0028736300000000 0.9522036400000000 0.3088058200000000 0.9971263700000000 0.4522036400000000 0.7616608100000000 0.0107077900000000 0.8378957200000000 0.7616608100000000 0.9892922100000000 0.3378957200000000 0.9886063400000000 0.1578450000000000 0.6332021500000000 0.5113936600000000 0.6578450000000000 0.8667978500000000 0.9886063400000000 0.8421550000000000 0.1332021500000000 0.5113936600000000 0.3421550000000000 0.3667978500000000 0.7383391900000000 0.5107077900000000 0.6621042800000000 0.7383391900000000 0.4892922100000000 0.1621042800000000 0.2616608100000000 0.5107077900000000 0.8378957200000000 0.2616608100000000 0.4892922100000000 0.3378957200000000 0.4886063400000000 0.6578450000000000 0.6332021500000000 0.0113936600000000 0.1578450000000000 0.8667978500000000 0.4886063400000000 0.3421550000000000 0.1332021500000000 0.0113936600000000 0.8421550000000000 0.3667978500000000 0.2383391900000000 0.0107077900000000 0.6621042800000000 0.2383391900000000 0.9892922100000000 0.1621042800000000 0.8872965100000000 0.0155909000000000 0.6011852799999999 0.8993603500000000 0.0180222700000000 0.8447978200000000 0.8872965100000000 0.9844091000000000 0.1011852800000000 0.8993603500000000 0.9819777300000000 0.3447978200000000 0.6932789600000000 0.0059904700000000 0.7191470500000000 0.7478474300000000 0.8261949900000000 0.9036315000000000 0.7353814300000000 0.1856204100000000 0.9039345400000000 0.9937414600000000 0.3297906400000000 0.5567603900000000 0.6932789600000000 0.9940095300000000 0.2191470500000000 0.7478474300000000 0.1738050100000000 0.4036315000000000 0.7353814300000000 0.8143795899999999 0.4039345400000000 0.5000000000000000 0.7566400500000000 0.7500000000000000 0.5062585399999999 0.8297906400000000 0.9432396100000000 0.9937414600000000 0.6702093600000000 0.0567603900000000 0.5000000000000000 0.2433599500000000 0.2500000000000000 0.7646185700000000 0.6856204100000001 0.5960654599999999 0.7521525700000000 0.3261949900000000 0.5963685000000001 0.8067210400000000 0.5059904700000000 0.7808529500000000 0.5062585399999999 0.1702093600000000 0.4432396100000000 0.7646185700000000 0.3143795900000000 0.0960654600000000 0.7521525700000000 0.6738050099999999 0.0963685000000000 0.8067210400000000 0.4940095300000000 0.2808529500000000 0.6006396500000000 0.5180222700000000 0.6552021800000001 0.6127034900000000 0.5155909000000001 0.8988147200000000 0.6006396500000000 0.4819777300000000 0.1552021800000000 0.6127034900000000 0.4844091000000000 0.3988147200000000 0.3872965100000000 0.5155909000000001 0.6011852799999999 0.3993603500000000 0.5180222700000000 0.8447978200000000 0.3872965100000000 0.4844091000000000 0.1011852800000000 0.3993603500000000 0.4819777300000000 0.3447978200000000 0.1932789600000000 0.5059904700000000 0.7191470500000000 0.2478474300000000 0.3261949900000000 0.9036315000000000 0.2353814300000000 0.6856204100000001 0.9039345400000000 0.4937414600000000 0.8297906400000000 0.5567603900000000 0.1932789600000000 0.4940095300000000 0.2191470500000000 0.2478474300000000 0.6738050099999999 0.4036315000000000 0.2353814300000000 0.3143795900000000 0.4039345400000000 0.0000000000000000 0.2566400500000000 0.7500000000000000 0.0062585400000000 0.3297906400000000 0.9432396100000000 0.4937414600000000 0.1702093600000000 0.0567603900000000 0.0000000000000000 0.7433599500000000 0.2500000000000000 0.2646185700000000 0.1856204100000000 0.5960654599999999 0.2521525700000000 0.8261949900000000 0.5963685000000001 0.3067210400000000 0.0059904700000000 0.7808529500000000 0.0062585400000000 0.6702093600000000 0.4432396100000000 0.2646185700000000 0.8143795899999999 0.0960654600000000 0.2521525700000000 0.1738050100000000 0.0963685000000000 0.3067210400000000 0.9940095300000000 0.2808529500000000 0.1006396500000000 0.0180222700000000 0.6552021800000001 0.1127034900000000 0.0155909000000000 0.8988147200000000 0.1006396500000000 0.9819777300000000 0.1552021800000000 0.1127034900000000 0.9844091000000000 0.3988147200000000vasp-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 3 2 0.000 0.000 0.000