# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c7fd54e4-f6f2-4d8b-8b33-717cd01cb9d4/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 In7Te10 / R32 (155) / materials id 669311](https://mdr.nims.go.jp/datasets/2a49399b-017a-4d63-bd55-6da3d627db8c)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  42</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  60</c><c>Te</c><c>    127.60000000</c><c>      6.00000000</c><c>  PAW_PBE Te 08Apr2002                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 310.974300     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 Te   1.0    14.8005673299999998    0.0000000000000000    0.0000000000000000    -7.4002836700000003   12.8176673000000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   18.7889394500000009 In Te  42  60Direct   0.0891339500000000  0.7559097800000000  0.5822240700000000   0.1098458500000000  0.1947521100000000  0.7706455000000000   0.8901541500000000  0.0849062500000000  0.2293545000000000   0.6667758300000000  0.9108660500000000  0.5822240700000000   0.9108660500000000  0.6667758300000000  0.4177759300000000   0.1947521100000000  0.1098458500000000  0.2293545000000000   0.0849062500000000  0.8901541500000000  0.7706455000000000   0.0000000000000000  0.0000000000000000  0.5734475600000000   0.0000000000000000  0.0000000000000000  0.4265524400000000   0.7559097800000000  0.0891339500000000  0.4177759300000000   0.8052478900000000  0.9150937500000000  0.7706455000000000   0.9150937500000000  0.8052478900000000  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0.5000000000000000   0.8062029100000000  0.8458445300000000  0.6300849399999999   0.4369048300000000  0.4663733600000000  0.9001261300000000   0.3038648000000000  0.2002933000000000  0.7665405400000000   0.0294685300000000  0.5630951700000000  0.9001261300000000   0.8412760300000000  0.0000000000000000  0.0000000000000000   0.8208221400000000  0.2936917100000000  0.9634182800000000   0.8604637600000000  0.3729749500000000  0.7032483899999999   0.0000000000000000  0.8412760300000000  0.0000000000000000   0.0626923500000000  0.3333333300000000  0.8333333300000000   0.6666666700000000  0.3333333300000000  0.1745354000000000   0.4920573000000000  0.8253906300000000  0.6666666700000000   0.7063082899999999  0.5271304200000000  0.9634182800000000   0.8964285000000000  0.6961352000000001  0.7665405400000000   0.6270250500000000  0.4874888000000000  0.7032483899999999   0.6666666700000000  0.3333333300000000  0.4921312700000000   0.2706409800000000  0.9373076500000000  0.8333333300000000   0.5336266400000000  0.9705314700000000  0.9001261300000000   0.5125111999999998  0.1395362400000000  0.7032483899999999   0.7997067000000000  0.1035715000000000  0.7665405400000000   0.6666666700000000  0.7293590200000000  0.8333333300000000   0.4728695800000000  0.1791778600000000  0.9634182800000000   0.1035715000000000  0.7997067000000000  0.2334594600000000   0.9705314700000000  0.5336266400000000  0.0998738700000000   0.6961352000000001  0.8964285000000000  0.2334594600000000   0.5079427000000001  0.3333333300000000  0.3333333300000000   0.4874888000000000  0.6270250500000000  0.2967516100000000   0.5271304200000000  0.7063082899999999  0.0365817200000000   0.6666666700000000  0.1746093700000000  0.3333333300000000   0.7293590200000000  0.6666666700000000  0.1666666700000000   0.3333333300000000  0.6666666700000000  0.5078687300000000   0.1587239700000000  0.1587239700000000  0.0000000000000000   0.3729749500000000  0.8604637600000000  0.2967516100000000   0.5630951700000000  0.0294685300000000  0.0998738700000000   0.2936917100000000  0.8208221400000000  0.0365817200000000   0.3333333300000000  0.6666666700000000  0.8254646000000000   0.9373076500000000  0.2706409800000000  0.1666666700000000   0.2002933000000000  0.3038648000000000  0.2334594600000000   0.1791778600000000  0.4728695800000000  0.0365817200000000   0.4663733600000000  0.4369048300000000  0.0998738700000000   0.3333333300000000  0.0626923500000000  0.1666666700000000   0.1395362400000000  0.5125111999999998  0.2967516100000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 310.974300     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     1 0.000 0.000 0.000