# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dd1b9677-44eb-49c1-ac43-3aa9c142b319/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 Li7VN4 / Pa-3 (205) / materials id 4604](https://mdr.nims.go.jp/datasets/ca5f1ffe-abb0-4e1e-9637-145785344672)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  56</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </c></rc>    <rc><c>  32</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>   8</c><c>V </c><c>     50.94100000</c><c>     11.00000000</c><c>  PAW_PBE V_pv 07Sep2000                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 648.744200     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 Li N V   1.0     9.4881957400000001    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.4881957400000001    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.4881957400000001 Li N V  56  32   8Direct   0.8644144800000000  0.3800552300000000  0.3960655500000000   0.3644144800000000  0.1199447700000000  0.6039344500000000   0.1355855200000000  0.8800552300000000  0.1039344500000000   0.1199447700000000  0.6039344500000000  0.3644144800000000   0.1039344500000000  0.1355855200000000  0.8800552300000000   0.6039344500000000  0.3644144800000000  0.1199447700000000   0.3800552300000000  0.3960655500000000  0.8644144800000000   0.3960655500000000  0.8644144800000000  0.3800552300000000   0.8800552300000000  0.1039344500000000  0.1355855200000000   0.6199447700000000  0.8960655500000000  0.6355855200000000   0.8960655500000000  0.6355855200000000  0.6199447700000000   0.6355855200000000  0.6199447700000000  0.8960655500000000   0.1355855200000000  0.6199447700000000  0.6039344500000000   0.6355855200000000  0.8800552300000000  0.3960655500000000   0.8644144800000000  0.1199447700000000  0.8960655500000000   0.8800552300000000  0.3960655500000000  0.6355855200000000   0.8960655500000000  0.8644144800000000  0.1199447700000000   0.3960655500000000  0.6355855200000000  0.8800552300000000   0.6199447700000000  0.6039344500000000  0.1355855200000000   0.6039344500000000  0.1355855200000000  0.6199447700000000   0.1199447700000000  0.8960655500000000  0.8644144800000000   0.3800552300000000  0.1039344500000000  0.3644144800000000   0.1039344500000000  0.3644144800000000  0.3800552300000000   0.8693002200000000  0.6303188500000000  0.1157806600000000   0.3644144800000000  0.3800552300000000  0.1039344500000000   0.1303188500000000  0.1157806600000000  0.6306997800000000   0.3696811500000000  0.8842193400000000  0.1306997800000000   0.1157806600000000  0.6306997800000000  0.1303188500000000   0.1306997800000000  0.3696811500000000  0.8842193400000000   0.6306997800000000  0.1303188500000000  0.1157806600000000   0.3842193400000000  0.3693002200000000  0.6303188500000000   0.3693002200000000  0.6303188500000000  0.3842193400000000   0.8842193400000000  0.1306997800000000  0.3696811500000000   0.6157806600000000  0.8693002200000000  0.8696811500000000   0.8693002200000000  0.8696811500000000  0.6157806600000000   0.8696811500000000  0.6157806600000000  0.8693002200000000   0.3696811500000000  0.6157806600000000  0.6306997800000000   0.8696811500000000  0.8842193400000000  0.3693002200000000   0.6303188500000000  0.1157806600000000  0.8693002200000000   0.8842193400000000  0.3693002200000000  0.8696811500000000   0.1330166500000000  0.1330166500000000  0.1330166500000000   0.3669833500000000  0.8669833500000000  0.6330166500000001   0.6330166500000001  0.3669833500000000  0.8669833500000000   0.8669833500000000  0.6330166500000001  0.3669833500000000   0.8669833500000000  0.8669833500000000  0.8669833500000000   0.6330166500000001  0.1330166500000000  0.3669833500000000   0.3669833500000000  0.6330166500000001  0.1330166500000000   0.1330166500000000  0.3669833500000000  0.6330166500000001   0.1303188500000000  0.3842193400000000  0.1306997800000000   0.1306997800000000  0.1303188500000000  0.3842193400000000   0.3842193400000000  0.1306997800000000  0.1303188500000000   0.1157806600000000  0.8693002200000000  0.6303188500000000   0.6306997800000000  0.3696811500000000  0.6157806600000000   0.6157806600000000  0.6306997800000000  0.3696811500000000   0.3693002200000000  0.8696811500000000  0.8842193400000000   0.6303188500000000  0.3842193400000000  0.3693002200000000   0.9857817300000000  0.2593554600000000  0.0214575600000000   0.4857817300000000  0.2406445400000000  0.9785424400000000   0.0142182700000000  0.7593554600000000  0.4785424400000000   0.2406445400000000  0.9785424400000000  0.4857817300000000   0.4785424400000000  0.0142182700000000  0.7593554600000000   0.9785424400000000  0.4857817300000000  0.2406445400000000   0.2593554600000000  0.0214575600000000  0.9857817300000000   0.0214575600000000  0.9857817300000000  0.2593554600000000   0.7593554600000000  0.4785424400000000  0.0142182700000000   0.7406445400000000  0.5214575600000000  0.5142182700000000   0.5214575600000000  0.5142182700000000  0.7406445400000000   0.5142182700000000  0.7406445400000000  0.5214575600000000   0.0142182700000000  0.7406445400000000  0.9785424400000000   0.5142182700000000  0.7593554600000000  0.0214575600000000   0.9857817300000000  0.2406445400000000  0.5214575600000000   0.7593554600000000  0.0214575600000000  0.5142182700000000   0.5214575600000000  0.9857817300000000  0.2406445400000000   0.0214575600000000  0.5142182700000000  0.7593554600000000   0.7406445400000000  0.9785424400000000  0.0142182700000000   0.9785424400000000  0.0142182700000000  0.7406445400000000   0.2406445400000000  0.5214575600000000  0.9857817300000000   0.2593554600000000  0.4785424400000000  0.4857817300000000   0.4785424400000000  0.4857817300000000  0.2593554600000000   0.4857817300000000  0.2593554600000000  0.4785424400000000   0.2600867200000000  0.2399132800000000  0.7600867200000000   0.2399132800000000  0.7600867200000000  0.2600867200000000   0.7600867200000000  0.2600867200000000  0.2399132800000000   0.7399132800000000  0.7399132800000000  0.7399132800000000   0.7399132800000000  0.7600867200000000  0.2399132800000000   0.7600867200000000  0.2399132800000000  0.7399132800000000   0.2399132800000000  0.7399132800000000  0.7600867200000000   0.2600867200000000  0.2600867200000000  0.2600867200000000   0.3703297600000000  0.1296702400000000  0.8703297600000000   0.1296702400000000  0.8703297600000000  0.3703297600000000   0.8703297600000000  0.3703297600000000  0.1296702400000000   0.6296702400000000  0.6296702400000000  0.6296702400000000   0.6296702400000000  0.8703297600000000  0.1296702400000000   0.8703297600000000  0.1296702400000000  0.6296702400000000   0.1296702400000000  0.6296702400000000  0.8703297600000000   0.3703297600000000  0.3703297600000000  0.3703297600000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 648.744200     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