# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c0f53072-c0d3-4fc2-9ae0-d7780d303690/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 CsNd(PO3)4 / P2_1/c (14) / materials id 561886](https://mdr.nims.go.jp/datasets/1c7db256-9585-42ab-b988-ef85633c3fed)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Cs 132.90000000 9.00000000 PAW_PBE Cs_sv 08Apr2002 8Nd 144.24000000 11.00000000 PAW_PBE Nd_3 06Sep2000 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 96O 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 Cs Nd P O 1.0 10.4932013200000007 0.0000000000000000 -0.0170397700000000 0.0000000000000000 9.0680811699999992 0.0000000000000000 -7.2973686600000001 0.0000000000000000 10.7710918200000005 Cs Nd P O 4 4 16 48Direct 0.2290480400000000 0.5657071600000000 0.5407062600000000 0.7709519600000000 0.0657071600000000 0.9592937400000000 0.7709519600000000 0.4342928400000000 0.4592937400000000 0.2290480400000000 0.9342928400000000 0.0407062600000000 0.6842139000000000 0.7262392900000000 0.1827326100000000 0.6842139000000000 0.7737607100000000 0.6827326100000000 0.3157861000000000 0.2262392900000000 0.3172673900000000 0.3157861000000000 0.2737607100000000 0.8172673900000000 0.3254247000000000 0.8259854400000000 0.3644543200000000 0.0307875900000000 0.5291570000000000 0.7832526000000000 0.6745753000000000 0.1740145600000000 0.6355456800000000 0.8002322700000000 0.8962501000000000 0.4749815400000000 0.9692124100000000 0.4708430000000000 0.2167474000000000 0.3867111000000000 0.5937200300000001 0.2417467200000000 0.1997677300000000 0.1037499000000000 0.5250184600000001 0.6132889000000000 0.4062799700000000 0.7582532800000000 0.6132889000000000 0.0937200300000000 0.2582532800000000 0.3254247000000000 0.6740145600000000 0.8644543200000000 0.3867111000000000 0.9062799700000000 0.7417467200000001 0.8002322700000000 0.6037499000000000 0.9749815400000000 0.1997677300000000 0.3962501000000000 0.0250184600000000 0.0307875900000000 0.9708430000000000 0.2832526000000000 0.9692124100000000 0.0291570000000000 0.7167474000000000 0.6745753000000000 0.3259854400000000 0.1355456800000000 0.5768044500000000 0.9624662899999999 0.1763896300000000 0.3688436700000000 0.9658495400000000 0.3306348500000000 0.7334539700000000 0.4492058900000000 0.9013943799999999 0.1619650600000000 0.2937372100000000 0.0945409400000000 0.4231955500000000 0.0375337100000000 0.8236103700000000 0.1251438500000000 0.0976369500000000 0.7963962800000000 0.9568501900000000 0.5404863300000000 0.0968935500000000 0.2665460300000000 0.5507941100000000 0.0986056200000000 0.0748198800000000 0.0817927600000000 0.2226076400000000 0.4828122600000000 0.1784359200000000 0.2453164000000000 0.9251801200000001 0.9182072400000000 0.7773923600000000 0.4231955500000000 0.4624662900000000 0.3236103700000000 0.1590131900000000 0.8412626300000000 0.3443136800000000 0.4291075500000000 0.7558675500000001 0.4890268700000000 0.8380349400000000 0.7062627900000000 0.9054590600000000 0.8380349400000000 0.7937372100000000 0.4054590600000000 0.0748198800000000 0.4182072400000000 0.7226076400000000 0.7221473500000000 0.2066866400000000 0.2443054700000000 0.9568501900000000 0.9595136700000000 0.5968935500000000 0.4291075500000000 0.7441324499999999 0.9890268700000000 0.5171877400000000 0.6784359200000001 0.2546836000000000 0.0431498100000000 0.4595136700000000 0.9031064500000000 0.5708924500000000 0.2441324500000000 0.5109731300000000 0.3001616200000000 0.1592392600000000 0.4856321900000000 0.6998383800000000 0.8407607400000000 0.5143678100000000 0.1619650600000000 0.2062627900000000 0.5945409400000000 0.7221473500000000 0.2933133600000000 0.7443054700000000 0.8409868100000000 0.3412626300000000 0.1556863200000000 0.8409868100000000 0.1587373700000000 0.6556863200000000 0.2778526500000000 0.7933133600000000 0.7556945300000000 0.3001616200000000 0.3407607400000000 0.9856321900000000 0.1251438500000000 0.4023630500000000 0.2963962800000000 0.6998383800000000 0.6592392600000000 0.0143678100000000 0.4828122600000000 0.3215640800000000 0.7453164000000000 0.8748561500000001 0.5976369500000001 0.7036037200000000 0.1590131900000000 0.6587373700000000 0.8443136800000000 0.5708924500000000 0.2558675500000000 0.0109731300000000 0.5768044500000000 0.5375337100000002 0.6763896300000001 0.2778526500000000 0.7066866400000000 0.2556945300000000 0.8748561500000001 0.9023630499999999 0.2036037200000000 0.3688436700000000 0.5341504600000000 0.8306348500000000 0.7334539700000000 0.0507941100000000 0.4013943800000000 0.6311563300000000 0.0341504600000000 0.6693651500000000 0.2665460300000000 0.9492058900000000 0.5986056200000001 0.5171877400000000 0.8215640800000000 0.7546836000000000 0.9251801200000001 0.5817927600000000 0.2773923600000000 0.6311563300000000 0.4658495400000000 0.1693651500000000 0.0431498100000000 0.0404863300000000 0.4031064500000000vasp-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 2 2 0.000 0.000 0.000