# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/caaddc6f-12ae-48ed-a42a-4d596cb91691/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 Na5P3O10 / C2/c (15) / materials id 3928](https://mdr.nims.go.jp/datasets/9f48c3b0-0155-4a74-88d5-7bab04f4a602)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 80O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 40Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 24P 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 = 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 O Na P 1.0 16.0074399800000009 0.0000000000000000 0.0649969800000000 0.0000000000000000 5.2299083199999998 0.0000000000000000 -0.6387428900000000 0.0000000000000000 11.2258332900000006 O Na P 40 20 12Direct 0.2195967400000000 0.0527932400000000 0.3527820100000000 0.1181113900000000 0.9071769900000000 0.0192921900000000 0.3818886100000000 0.4071769900000000 0.4807078100000000 0.3818886100000000 0.5928230100000000 0.9807078100000000 0.1181113900000000 0.0928230100000000 0.5192921900000000 0.2195967400000000 0.9472067600000000 0.8527820100000000 0.0387880000000000 0.4543067700000000 0.1520625600000000 0.4612120000000000 0.9543067700000000 0.3479374400000000 0.4612120000000000 0.0456932300000000 0.8479374399999999 0.0387880000000000 0.5456932299999999 0.6520625600000001 0.0664616800000000 0.1028664700000000 0.3062647300000000 0.4335383200000000 0.6028664699999999 0.1937352700000000 0.4335383200000000 0.3971335300000000 0.6937352700000000 0.0664616800000000 0.8971335300000000 0.8062647300000000 0.2804032600000000 0.5527932400000000 0.1472179900000000 0.3495611100000000 0.9879162300000000 0.1076363000000000 0.3495611100000000 0.0120837700000000 0.6076363000000000 0.1504388900000000 0.5120837700000000 0.8923637000000000 0.1504388900000000 0.4879162300000000 0.3923637000000000 0.2804032600000000 0.4472067600000000 0.6472179900000000 0.7195967400000001 0.5527932400000000 0.3527820100000000 0.6181113899999999 0.4071769900000000 0.0192921900000000 0.8818886100000000 0.9071769900000000 0.4807078100000000 0.8818886100000000 0.0928230100000000 0.9807078100000000 0.6181113899999999 0.5928230100000000 0.5192921900000000 0.7195967400000001 0.4472067600000000 0.8527820100000000 0.5387880000000000 0.9543067700000000 0.1520625600000000 0.9612120000000000 0.4543067700000000 0.3479374400000000 0.9612120000000000 0.5456932299999999 0.8479374399999999 0.5387880000000000 0.0456932300000000 0.6520625600000001 0.5664616800000000 0.6028664699999999 0.3062647300000000 0.9335383200000000 0.1028664700000000 0.1937352700000000 0.9335383200000000 0.8971335300000000 0.6937352700000000 0.5664616800000000 0.3971335300000000 0.8062647300000000 0.7804032599999999 0.0527932400000000 0.1472179900000000 0.8495611100000000 0.4879162300000000 0.1076363000000000 0.8495611100000000 0.5120837700000000 0.6076363000000000 0.6504388900000000 0.0120837700000000 0.8923637000000000 0.6504388900000000 0.9879162300000000 0.3923637000000000 0.7804032599999999 0.9472067600000000 0.6472179900000000 0.4609938900000000 0.2389963900000000 0.0388731200000000 0.4609938900000000 0.7610036099999999 0.5388731200000000 0.0390061100000000 0.2610036100000000 0.9611268800000000 0.1591163800000000 0.7322696399999999 0.2076637000000000 0.3408836200000000 0.2322696400000000 0.2923363000000000 0.3408836200000000 0.7677303600000001 0.7923363000000000 0.2500000000000000 0.7500000000000000 0.5000000000000000 0.2500000000000000 0.2500000000000000 0.0000000000000000 0.1591163800000000 0.2677303600000000 0.7076637000000000 0.0390061100000000 0.7389963900000001 0.4611268800000000 0.9609938900000000 0.7389963900000001 0.0388731200000000 0.9609938900000000 0.2610036100000000 0.5388731200000000 0.5390061100000000 0.7610036099999999 0.9611268800000000 0.6591163799999999 0.2322696400000000 0.2076637000000000 0.8408836200000001 0.7322696399999999 0.2923363000000000 0.8408836200000001 0.2677303600000000 0.7923363000000000 0.7500000000000000 0.2500000000000000 0.5000000000000000 0.7500000000000000 0.7500000000000000 0.0000000000000000 0.6591163799999999 0.7677303600000001 0.7076637000000000 0.5390061100000000 0.2389963900000000 0.4611268800000000 0.1465499400000000 0.8020748799999999 0.9011025800000000 0.3534500600000000 0.3020748800000000 0.5988974200000000 0.3534500600000000 0.6979251200000001 0.0988974200000000 0.1465499400000000 0.1979251200000000 0.4011025800000000 0.0000000000000000 0.6946996400000001 0.7500000000000000 0.0000000000000000 0.3053003600000000 0.2500000000000000 0.6465499400000000 0.3020748800000000 0.9011025800000000 0.8534500600000000 0.8020748799999999 0.5988974200000000 0.8534500600000000 0.1979251200000000 0.0988974200000000 0.6465499400000000 0.6979251200000001 0.4011025800000000 0.5000000000000000 0.1946996400000000 0.7500000000000000 0.5000000000000000 0.8053003599999999 0.2500000000000000vasp-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 1 4 2 0.000 0.000 0.000