# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/76e4eccc-089a-4fa0-a898-89ea10c8126a/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 MnP4 / C2/c (15) / materials id 571193](https://mdr.nims.go.jp/datasets/7efe5f62-804d-4e83-abd9-ec004aaaea97)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Mn 54.93800000 13.00000000 PAW_PBE Mn_pv 02Aug2007 64P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 350.823200 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 Mn P 1.0 10.4002665000000007 0.0000000000000000 0.0239581100000000 0.0000000000000000 5.0464468599999996 0.0000000000000000 -1.6785189000000000 0.0000000000000000 21.4266221399999992 Mn P 16 64Direct 0.3149263600000000 0.7990997000000000 0.1819073000000000 0.0756301900000000 0.1172521300000000 0.4294530900000000 0.4243698100000000 0.6172521300000000 0.0705469100000000 0.1850736400000000 0.2990997000000000 0.3180927000000000 0.0756301900000000 0.8827478700000000 0.9294530900000000 0.3149263600000000 0.2009003000000000 0.6819073000000000 0.4243698100000000 0.3827478700000000 0.5705469100000000 0.1850736400000000 0.7009003000000000 0.8180927000000000 0.8149263600000000 0.2990997000000000 0.1819073000000000 0.5756301900000000 0.6172521300000000 0.4294530900000000 0.9243698100000000 0.1172521300000000 0.0705469100000000 0.6850736399999999 0.7990997000000000 0.3180927000000000 0.5756301900000000 0.3827478700000000 0.9294530900000000 0.8149263600000000 0.7009003000000000 0.6819073000000000 0.9243698100000000 0.8827478700000000 0.5705469100000000 0.6850736399999999 0.2009003000000000 0.8180927000000000 0.4736799400000000 0.5172275300000000 0.1703505600000000 0.2246740900000000 0.8123350100000000 0.4506768600000000 0.0342170800000000 0.3988434500000000 0.8000943200000000 0.4657829200000000 0.8988434500000000 0.6999056800000000 0.2753259100000000 0.3123350100000000 0.0493231400000000 0.4233610600000000 0.9189328700000000 0.4259435600000000 0.2312895100000000 0.5929472000000000 0.9162675900000000 0.0738920000000000 0.1691676300000000 0.5361643200000000 0.3270986900000000 0.6171310900000000 0.2835435100000000 0.4233610600000000 0.0810671300000000 0.9259435600000000 0.4736799400000000 0.4827724700000000 0.6703505599999999 0.1606216200000000 0.5080046700000000 0.1692280200000000 0.3393783800000000 0.9919953300000000 0.8307719800000000 0.1606216200000000 0.4919953300000000 0.6692280200000000 0.0263200600000000 0.9827724700000000 0.8296494400000000 0.0342170800000000 0.6011565500000000 0.3000943200000000 0.2687104900000000 0.0929472000000000 0.5837324100000000 0.3393783800000000 0.0080046700000000 0.3307719800000000 0.0738920000000000 0.8308323700000000 0.0361643200000000 0.4261080000000000 0.3308323700000000 0.4638356800000000 0.1729013100000000 0.1171310900000000 0.2164564900000000 0.3270986900000000 0.3828689100000000 0.7835435100000000 0.1729013100000000 0.8828689100000000 0.7164564900000000 0.2687104900000000 0.9070528000000000 0.0837324100000000 0.0263200600000000 0.0172275300000000 0.3296494400000000 0.4657829200000000 0.1011565500000000 0.1999056800000000 0.2312895100000000 0.4070528000000000 0.4162675900000000 0.0766389400000000 0.5810671300000000 0.5740564400000000 0.4261080000000000 0.6691676300000000 0.9638356800000000 0.2246740900000000 0.1876649900000000 0.9506768600000000 0.2753259100000000 0.6876649900000000 0.5493231400000000 0.0766389400000000 0.4189328700000000 0.0740564400000000 0.9736799400000000 0.0172275300000000 0.1703505600000000 0.7246740899999999 0.3123350100000000 0.4506768600000000 0.5342170800000000 0.8988434500000000 0.8000943200000000 0.9657829200000000 0.3988434500000000 0.6999056800000000 0.7753259100000001 0.8123350100000000 0.0493231400000000 0.9233610600000000 0.4189328700000000 0.4259435600000000 0.7312895100000000 0.0929472000000000 0.9162675900000000 0.5738920000000001 0.6691676300000000 0.5361643200000000 0.8270986900000000 0.1171310900000000 0.2835435100000000 0.9233610600000000 0.5810671300000000 0.9259435600000000 0.9736799400000000 0.9827724700000000 0.6703505599999999 0.6606216200000000 0.0080046700000000 0.1692280200000000 0.8393783800000000 0.4919953300000000 0.8307719800000000 0.6606216200000000 0.9919953300000000 0.6692280200000000 0.5263200600000000 0.4827724700000000 0.8296494400000000 0.5342170800000000 0.1011565500000000 0.3000943200000000 0.7687104900000000 0.5929472000000000 0.5837324100000000 0.8393783800000000 0.5080046700000000 0.3307719800000000 0.5738920000000001 0.3308323700000000 0.0361643200000000 0.9261080000000000 0.8308323700000000 0.4638356800000000 0.6729013100000000 0.6171310900000000 0.2164564900000000 0.8270986900000000 0.8828689100000000 0.7835435100000000 0.6729013100000000 0.3828689100000000 0.7164564900000000 0.7687104900000000 0.4070528000000000 0.0837324100000000 0.5263200600000000 0.5172275300000000 0.3296494400000000 0.9657829200000000 0.6011565500000000 0.1999056800000000 0.7312895100000000 0.9070528000000000 0.4162675900000000 0.5766389400000000 0.0810671300000000 0.5740564400000000 0.9261080000000000 0.1691676300000000 0.9638356800000000 0.7246740899999999 0.6876649900000000 0.9506768600000000 0.7753259100000001 0.1876649900000000 0.5493231400000000 0.5766389400000000 0.9189328700000000 0.0740564400000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 350.823200 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 4 1 0.000 0.000 0.000