# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a3dd9347-c74b-40a0-b1f0-1bc28c43417e/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 Rb4GeO4 / P2_1/c (14) / materials id 18464](https://mdr.nims.go.jp/datasets/eaa43928-e155-4cef-bc6e-0461de4f9d25)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  16</c><c>Ge</c><c>     72.61000000</c><c>     14.00000000</c><c>  PAW_PBE Ge_d 03Jul2007                </c></rc>    <rc><c>  64</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </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 O Ge Rb   1.0    11.0058417899999998    0.0000000000000000   -0.0082692500000000     0.0000000000000000    6.8328786099999999    0.0000000000000000    -4.0811446199999999    0.0000000000000000   10.1152200800000003 O Ge Rb  16   4  16Direct   0.2835882600000000  0.9961602300000000  0.6592912100000000   0.7164117400000001  0.4961602300000000  0.8407087900000000   0.7164117400000001  0.0038397700000000  0.3407087900000000   0.2835882600000000  0.5038397700000000  0.1592912100000000   0.4141855900000000  0.2665190600000000  0.0284621400000000   0.5858144100000000  0.7665190600000000  0.4715378600000000   0.5858144100000000  0.7334809400000000  0.9715378600000000   0.4141855900000000  0.2334809400000000  0.5284621400000000   0.1956125800000000  0.9738606200000000  0.3684450700000000   0.8043874200000000  0.4738606200000000  0.1315549300000000   0.8043874200000000  0.0261393800000000  0.6315549300000001   0.1956125800000000  0.5261393800000000  0.8684450700000000   0.1462211800000000  0.3265322300000000  0.4911034200000000   0.8537788200000000  0.8265322300000000  0.0088965800000000   0.8537788200000000  0.6734677700000000  0.5088965800000000   0.1462211800000000  0.1734677700000000  0.9911034200000000   0.2601782400000000  0.1295456000000000  0.5112163700000000   0.7398217600000000  0.6295455999999999  0.9887836300000000   0.7398217600000000  0.8704544000000000  0.4887836300000000   0.2601782400000000  0.3704544000000000  0.0112163700000000   0.0784747500000000  0.3143611500000000  0.2078605000000000   0.9215252500000000  0.8143611500000000  0.2921395000000000   0.9215252500000000  0.6856388500000000  0.7921395000000000   0.0784747500000000  0.1856388500000000  0.7078605000000000   0.4353592300000000  0.0872306600000000  0.2984286200000000   0.5646407700000000  0.5872306600000000  0.2015713800000000   0.5646407700000000  0.9127693400000000  0.7015713800000001   0.4353592300000000  0.4127693400000000  0.7984286200000000   0.1285763700000000  0.8298962700000000  0.1095702900000000   0.8714236300000000  0.3298962700000000  0.3904297100000000   0.8714236300000000  0.1701037300000000  0.8904297100000000   0.1285763700000000  0.6701037300000000  0.6095702900000000   0.6575447800000001  0.1122309800000000  0.0805240000000000   0.3424552200000000  0.6122309800000000  0.4194760000000000   0.3424552200000000  0.8877690200000000  0.9194760000000000   0.6575447800000001  0.3877690200000000  0.5805240000000000vasp-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     2     3     2 0.000 0.000 0.000