# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b78b93a9-8185-4e38-ab35-9dba6e31d464/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 Tm2P4O13 / C2/c (15) / materials id 772744](https://mdr.nims.go.jp/datasets/93a0db39-ccd6-4618-9887-f3a74bdf8e40)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Tm 168.93000000 9.00000000 PAW_PBE Tm_3 20Jan2003 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 Tm P O 1.0 11.7478669900000003 0.0000000000000000 -0.0919521500000000 0.0000000000000000 6.6710884500000001 0.0000000000000000 -3.6648095299999999 0.0000000000000000 12.2030732200000003 Tm P O 8 16 52Direct 0.6925370800000000 0.0029957800000000 0.0474591300000000 0.8074629200000000 0.5029957800000000 0.4525408700000000 0.6925370800000000 0.9970042200000000 0.5474591300000000 0.8074629200000000 0.4970042200000000 0.9525408700000000 0.1925370800000000 0.5029957800000000 0.0474591300000000 0.3074629200000000 0.0029957800000000 0.4525408700000000 0.1925370800000000 0.4970042200000000 0.5474591300000000 0.3074629200000000 0.9970042200000000 0.9525408700000000 0.9877694500000000 0.1583443600000000 0.1325130600000000 0.9877694500000000 0.8416556400000000 0.6325130600000000 0.7384351700000000 0.5105602900000000 0.1624459800000000 0.7615648300000000 0.0105602900000000 0.3375540200000000 0.7384351700000000 0.4894397100000000 0.6624459800000000 0.7615648300000000 0.9894397100000000 0.8375540200000000 0.5122305500000000 0.6583443600000001 0.3674869400000000 0.5122305500000000 0.3416556400000000 0.8674869400000000 0.4877694500000000 0.6583443600000001 0.1325130600000000 0.4877694500000000 0.3416556400000000 0.6325130600000000 0.2384351700000000 0.0105602900000000 0.1624459800000000 0.2615648300000000 0.5105602900000000 0.3375540200000000 0.2384351700000000 0.9894397100000000 0.6624459800000000 0.2615648300000000 0.4894397100000000 0.8375540200000000 0.0122305500000000 0.1583443600000000 0.3674869400000000 0.0122305500000000 0.8416556400000000 0.8674869400000000 0.9914079200000000 0.3306623100000000 0.0549827400000000 0.8867140099999999 0.0138966500000000 0.1012291200000000 0.9914079200000000 0.6693376900000000 0.5549827400000000 0.8996431200000000 0.0183700900000000 0.3453847400000000 0.7648921800000000 0.6859805200000000 0.0959604800000000 0.7523499400000000 0.3253144100000000 0.0961908300000000 0.8069532500000001 0.5054202400000001 0.2823033400000000 0.8867140099999999 0.9861033500000000 0.6012291200000000 0.8996431200000000 0.9816299100000000 0.8453847400000000 0.6930467499999999 0.0054202400000000 0.2176966600000000 0.7476500600000000 0.8253144100000001 0.4038091700000000 0.7351078200000001 0.1859805200000000 0.4040395200000000 0.7648921800000000 0.3140194800000000 0.5959604800000000 0.7523499400000000 0.6746855899999999 0.5961908300000001 0.8069532500000001 0.4945797600000000 0.7823033400000000 0.6003568800000000 0.5183700900000000 0.1546152600000000 0.6132859900000001 0.5138966500000000 0.3987708800000000 0.6930467499999999 0.9945797600000000 0.7176966600000000 0.7476500600000000 0.1746855900000000 0.9038091699999999 0.7351078200000001 0.8140194800000000 0.9040395200000000 0.0000000000000000 0.2583145400000000 0.2500000000000000 0.6003568800000000 0.4816299100000000 0.6546152599999999 0.5085920800000000 0.8306623100000000 0.4450172600000000 0.6132859900000001 0.4861033500000000 0.8987708800000000 0.0000000000000000 0.7416854600000000 0.7500000000000000 0.5085920800000000 0.1693376900000000 0.9450172600000000 0.4914079200000000 0.8306623100000000 0.0549827400000000 0.3867140100000000 0.5138966500000000 0.1012291200000000 0.4914079200000000 0.1693376900000000 0.5549827400000000 0.3996431200000000 0.5183700900000000 0.3453847400000000 0.2648921800000000 0.1859805200000000 0.0959604800000000 0.2523499400000000 0.8253144100000001 0.0961908300000000 0.3069532500000000 0.0054202400000000 0.2823033400000000 0.3867140100000000 0.4861033500000000 0.6012291200000000 0.3996431200000000 0.4816299100000000 0.8453847400000000 0.1930467500000000 0.5054202400000001 0.2176966600000000 0.2476500600000000 0.3253144100000000 0.4038091700000000 0.2351078200000000 0.6859805200000000 0.4040395200000000 0.2648921800000000 0.8140194800000000 0.5959604800000000 0.2523499400000000 0.1746855900000000 0.5961908300000001 0.3069532500000000 0.9945797600000000 0.7823033400000000 0.1003568800000000 0.0183700900000000 0.1546152600000000 0.1132859900000000 0.0138966500000000 0.3987708800000000 0.1930467500000000 0.4945797600000000 0.7176966600000000 0.2476500600000000 0.6746855899999999 0.9038091699999999 0.2351078200000000 0.3140194800000000 0.9040395200000000 0.5000000000000000 0.7583145400000000 0.2500000000000000 0.1003568800000000 0.9816299100000000 0.6546152599999999 0.0085920800000000 0.3306623100000000 0.4450172600000000 0.1132859900000000 0.9861033500000000 0.8987708800000000 0.5000000000000000 0.2416854600000000 0.7500000000000000 0.0085920800000000 0.6693376900000000 0.9450172600000000vasp-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