# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8d5f3efe-0b62-4763-a26a-311351a43942/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 In2Si(AgS3)2 / Cc (9) / materials id 558407](https://mdr.nims.go.jp/datasets/a38313a5-4075-47c2-befb-4a99c283140e)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>   8</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  16</c><c>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </c></rc>    <rc><c>  48</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 387.224500     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 In Si Ag S   1.0    12.0985801800000008    0.0000000000000000   -0.0288688100000000     0.0000000000000000    7.0705798800000004    0.0000000000000000    -4.0415920200000004    0.0000000000000000   11.3528055499999994 In Si Ag S   8   4   8  24Direct   0.2618580800000000  0.4355344600000000  0.2326824200000000   0.0797617300000000  0.3991843200000000  0.4303005500000000   0.0797617300000000  0.6008156800000000  0.9303005500000000   0.2618580800000000  0.5644655400000000  0.7326824199999999   0.7618580800000000  0.9355344600000000  0.2326824200000000   0.5797617300000000  0.8991843200000000  0.4303005500000000   0.5797617300000000  0.1008156800000000  0.9303005500000000   0.7618580800000000  0.0644655400000000  0.7326824199999999   0.8283599600000000  0.2348086000000000  0.4901521500000000   0.8283599600000000  0.7651914000000000  0.9901521500000000   0.3283599600000000  0.7348086000000000  0.4901521500000000   0.3283599600000000  0.2651914000000000  0.9901521500000000   0.8986509100000000  0.2887274000000000  0.0775310800000000   0.6011678600000000  0.4048796500000000  0.2378058200000000   0.8986509100000000  0.7112726000000000  0.5775310800000000   0.6011678600000000  0.5951203500000000  0.7378058199999999   0.3986509100000000  0.7887274000000000  0.0775310800000000   0.1011678600000000  0.9048796500000000  0.2378058200000000   0.3986509100000000  0.2112726000000000  0.5775310800000000   0.1011678600000000  0.0951203500000000  0.7378058199999999   0.0888506300000000  0.2565744800000000  0.2456161300000000   0.8736364100000000  0.4784885700000000  0.4100647400000000   0.2095176000000000  0.7361183800000000  0.1197975300000000   0.4031468800000000  0.4959562000000000  0.4362790200000000   0.8736364100000000  0.5215114300000000  0.9100647400000000   0.0888506300000000  0.7434255200000000  0.7456161299999999   0.1430790200000000  0.7412270300000000  0.4420771100000000   0.2095176000000000  0.2638816200000000  0.6197975300000000   0.9020709400000000  0.7345940399999999  0.1759934700000000   0.9020709400000000  0.2654059600000000  0.6759934700000000   0.4031468800000000  0.5040438000000000  0.9362790200000000   0.1430790200000000  0.2587729700000000  0.9420771100000001   0.5888506300000000  0.7565744800000000  0.2456161300000000   0.3736364100000000  0.9784885700000000  0.4100647400000000   0.7095176000000001  0.2361183800000000  0.1197975300000000   0.9031468800000000  0.9959562000000000  0.4362790200000000   0.3736364100000000  0.0215114300000000  0.9100647400000000   0.5888506300000000  0.2434255200000000  0.7456161299999999   0.6430790200000001  0.2412270300000000  0.4420771100000000   0.7095176000000001  0.7638816200000000  0.6197975300000000   0.4020709400000000  0.2345940400000000  0.1759934700000000   0.4020709400000000  0.7654059600000001  0.6759934700000000   0.9031468800000000  0.0040438000000000  0.9362790200000000   0.6430790200000001  0.7587729700000000  0.9420771100000001vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 387.224500     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     3     2 0.000 0.000 0.000