# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9e1468f0-9768-4826-9dc7-cd448b51753e/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 Cu3P15I2 / P2_1/c (14) / materials id 679930](https://mdr.nims.go.jp/datasets/246f1670-116c-440d-b25f-a6eeb3bc943c)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Cu 63.54600000 17.00000000 PAW_PBE Cu_pv 06Sep2000 60P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 8I 126.90400000 7.00000000 PAW_PBE I 08Apr2002 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 479.242400 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 Cu P I 1.0 9.6191068899999994 0.0000000000000000 0.0048119800000000 0.0000000000000000 19.1447665299999983 0.0000000000000000 -6.4480520400000003 0.0000000000000000 9.3634129200000000 Cu P I 12 60 8Direct 0.0033709000000000 0.0562167900000000 0.3283941000000000 0.3733250300000000 0.7898745500000000 0.9315451600000000 0.4046618500000000 0.5586757800000000 0.1739226500000000 0.9966291000000000 0.5562167900000000 0.1716059000000000 0.5953381500000000 0.4413242200000000 0.8260773500000000 0.9966291000000000 0.9437832100000000 0.6716059000000000 0.3733250300000000 0.7101254500000000 0.4315451600000000 0.5953381500000000 0.0586757800000000 0.3260773500000000 0.0033709000000000 0.4437832100000000 0.8283941000000000 0.4046618500000000 0.9413242200000000 0.6739226500000000 0.6266749700000001 0.2898745500000000 0.5684548400000000 0.6266749700000001 0.2101254500000000 0.0684548400000000 0.2291304500000000 0.9049886100000000 0.4462099000000000 0.3959590100000000 0.9819680800000000 0.2862860600000000 0.1453671300000000 0.5167015500000001 0.7768120100000000 0.3342085300000000 0.8243838000000000 0.3766248300000000 0.6657914700000001 0.3243838000000000 0.1233751700000000 0.9854148300000000 0.9133128900000000 0.0886088600000000 0.1622334400000000 0.3546635900000000 0.3526195300000000 0.2850963500000000 0.9210649200000000 0.0872428200000000 0.8648784000000000 0.9218916500000001 0.4368525000000000 0.3342085300000000 0.6756162000000000 0.8766248300000000 0.2345341300000000 0.9953127500000000 0.7219790699999999 0.7149036500000000 0.0789350800000000 0.9127571800000001 0.5007145500000000 0.6380312200000000 0.6218181800000000 0.9991961900000000 0.3476707400000000 0.1119441100000000 0.7654658700000000 0.0046872500000000 0.2780209300000000 0.4574960200000000 0.3981166300000000 0.0515143000000000 0.2291304500000000 0.5950113900000000 0.9462099000000000 0.7708695500000000 0.4049886100000000 0.0537901000000000 0.5425039800000000 0.6018833699999999 0.9484857000000000 0.8546328700000000 0.4832984500000000 0.2231879900000000 0.5007145500000000 0.8619687800000000 0.1218181800000000 0.3518498900000000 0.0611241000000000 0.9113167900000000 0.0008038100000000 0.6523292600000000 0.8880558900000000 0.1351216000000000 0.4218916500000000 0.0631475000000000 0.8377665599999999 0.8546635900000000 0.1473804700000000 0.6481501100000000 0.9388759000000000 0.0886832100000000 0.8270183500000000 0.3322767600000000 0.3671112400000000 0.1729816500000000 0.6677232399999999 0.6328887599999999 0.1729816500000000 0.8322767600000001 0.1328887600000000 0.2850963500000000 0.5789350799999999 0.5872428199999999 0.9854148300000000 0.5866871100000000 0.5886088600000000 0.8546328700000000 0.0167015500000000 0.7231879900000000 0.4574960200000000 0.1018833700000000 0.5515143000000000 0.0145851700000000 0.0866871100000000 0.9113911400000000 0.0008038100000000 0.8476707400000000 0.3880558900000000 0.7149036500000000 0.4210649200000000 0.4127571800000000 0.6649768800000000 0.6573686300000000 0.8624678700000000 0.8648784000000000 0.5781083499999999 0.9368525000000000 0.4992854500000000 0.1380312200000000 0.8781818200000000 0.3350231200000000 0.1573686300000000 0.6375321300000000 0.1453671300000000 0.9832984500000000 0.2768120100000000 0.6657914700000001 0.1756162000000000 0.6233751700000000 0.5425039800000000 0.8981166300000000 0.4484857000000000 0.1351216000000000 0.0781083500000000 0.5631475000000000 0.0145851700000000 0.4133128900000000 0.4113911400000000 0.6040409900000000 0.4819680800000000 0.2137139400000000 0.8270183500000000 0.1677232400000000 0.8671112400000001 0.7708695500000000 0.0950113900000000 0.5537901000000001 0.6649768800000000 0.8426313700000000 0.3624678700000000 0.1622334400000000 0.1453364100000000 0.8526195300000000 0.9991961900000000 0.1523292600000000 0.6119441100000000 0.2345341300000000 0.5046872499999999 0.2219790700000000 0.6040409900000000 0.0180319200000000 0.7137139400000000 0.7654658700000000 0.4953127500000000 0.7780209300000001 0.4992854500000000 0.3619687800000000 0.3781818200000000 0.3350231200000000 0.3426313700000000 0.1375321300000000 0.6481501100000000 0.5611241000000000 0.5886832100000000 0.3518498900000000 0.4388759000000000 0.4113167900000000 0.3959590100000000 0.5180319200000000 0.7862860600000000 0.8377665599999999 0.6453364100000001 0.6473804700000000 0.0483438500000000 0.6806839499999999 0.2741433100000000 0.9516561500000000 0.3193160500000000 0.7258566900000001 0.5045397400000000 0.8205375000000000 0.7891319900000000 0.4954602600000000 0.3205375000000000 0.7108680100000000 0.9516561500000000 0.1806839500000000 0.2258566900000000 0.0483438500000000 0.8193160500000000 0.7741433100000000 0.4954602600000000 0.1794625000000000 0.2108680100000000 0.5045397400000000 0.6794625000000001 0.2891319900000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 479.242400 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 3 1 2 0.000 0.000 0.000