# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9fc699c2-e547-42a5-9f4b-16950f3e3ba9/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 Sr2VN3 / C2/c (15) / materials id 17012](https://mdr.nims.go.jp/datasets/6f01ab72-041b-4351-8a43-67d503b135a6)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>  16</c><c>V </c><c>     50.94100000</c><c>     11.00000000</c><c>  PAW_PBE V_pv 07Sep2000                </c></rc>    <rc><c>  32</c><c>Sr</c><c>     87.62000000</c><c>     10.00000000</c><c>  PAW_PBE Sr_sv 07Sep2000               </c></rc>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 N V Sr   1.0     5.6705443200000003    0.0000000000000000   -0.0149634400000000     0.0000000000000000   10.9195936600000003    0.0000000000000000    -0.1994058700000000    0.0000000000000000   12.2177903499999996 N V Sr  24   8  16Direct   0.2337441500000000  0.0898202700000000  0.0450759000000000   0.7662558500000000  0.0898202700000000  0.4549241000000000   0.2662558500000000  0.4101797300000000  0.9549241000000001   0.7337441499999999  0.4101797300000000  0.5450758999999998   0.0000000000000000  0.0188865300000000  0.2500000000000000   0.5000000000000000  0.4811134700000000  0.7500000000000000   0.5000000000000000  0.0609488600000000  0.2500000000000000   0.7111879400000001  0.1603892900000000  0.8672667600000000   0.2111879400000000  0.3396107100000000  0.3672667600000000   0.7888120600000000  0.3396107100000000  0.1327332400000000   0.2888120600000000  0.1603892900000000  0.6327332400000000   0.0000000000000000  0.4390511400000000  0.7500000000000000   0.7337441499999999  0.5898202699999999  0.0450759000000000   0.2662558500000000  0.5898202699999999  0.4549241000000000   0.7662558500000000  0.9101797300000000  0.9549241000000001   0.2337441500000000  0.9101797300000000  0.5450758999999998   0.5000000000000000  0.5188865300000001  0.2500000000000000   0.0000000000000000  0.9811134700000000  0.7500000000000000   0.0000000000000000  0.5609488600000000  0.2500000000000000   0.2111879400000000  0.6603892900000000  0.8672667600000000   0.7111879400000001  0.8396107100000000  0.3672667600000000   0.2888120600000000  0.8396107100000000  0.1327332400000000   0.7888120600000000  0.6603892900000000  0.6327332400000000   0.5000000000000000  0.9390511400000000  0.7500000000000000   0.2581386200000000  0.0015253800000000  0.6639814300000000   0.2418613800000000  0.4984746200000000  0.3360185700000000   0.7418613800000000  0.0015253800000000  0.8360185700000000   0.7581386200000000  0.4984746200000000  0.1639814300000000   0.7581386200000000  0.5015253800000000  0.6639814300000000   0.7418613800000000  0.9984746200000000  0.3360185700000000   0.2418613800000000  0.5015253800000000  0.8360185700000000   0.2581386200000000  0.9984746200000000  0.1639814300000000   0.2442686600000000  0.1984492400000000  0.8531575600000000   0.7442686600000000  0.3015507600000000  0.3531575600000000   0.2557313400000000  0.3015507600000000  0.1468424400000000   0.7557313400000000  0.1984492400000000  0.6468424400000000   0.2430310300000000  0.1107798100000000  0.4229027400000000   0.7569689700000000  0.1107798100000000  0.0770972600000000   0.2569689700000000  0.3892201900000000  0.5770972599999999   0.7430310300000000  0.3892201900000000  0.9229027400000001   0.7442686600000000  0.6984492400000000  0.8531575600000000   0.2442686600000000  0.8015507600000000  0.3531575600000000   0.7557313400000000  0.8015507600000000  0.1468424400000000   0.2557313400000000  0.6984492400000000  0.6468424400000000   0.7430310300000000  0.6107798099999999  0.4229027400000000   0.2569689700000000  0.6107798099999999  0.0770972600000000   0.7569689700000000  0.8892201900000000  0.5770972599999999   0.2430310300000000  0.8892201900000000  0.9229027400000001vasp-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     3     2     2 0.000 0.000 0.000