# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0718e25b-ba1d-4f51-aa48-d3ccdebc2960/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 Na2(ReS2)3 / C2/c (15) / materials id 541895](https://mdr.nims.go.jp/datasets/752b0bde-609d-46c3-97a6-35a55bb830a3)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 24Re 186.20700000 13.00000000 PAW_PBE Re_pv 06Sep2000 48S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 337.429300 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 Na Re S 1.0 15.7803073400000002 0.0000000000000000 -0.0203302100000000 0.0000000000000000 9.5743544800000002 0.0000000000000000 -0.5554040600000000 0.0000000000000000 11.4312930500000007 Na Re S 16 24 48Direct 0.5000000000000000 0.9164009500000000 0.2500000000000000 0.5000000000000000 0.0835990500000000 0.7500000000000000 0.5000000000000000 0.2851289300000000 0.2500000000000000 0.5000000000000000 0.7148710700000001 0.7500000000000000 0.3757099300000000 0.2706095500000000 0.9923291000000000 0.6242900700000000 0.2706095500000000 0.5076708999999999 0.6242900700000000 0.7293904500000000 0.0076709000000000 0.3757099300000000 0.7293904500000000 0.4923291000000000 0.0000000000000000 0.4164009500000000 0.2500000000000000 0.0000000000000000 0.5835990500000000 0.7500000000000000 0.0000000000000000 0.7851289299999999 0.2500000000000000 0.0000000000000000 0.2148710700000000 0.7500000000000000 0.8757099300000000 0.7706095500000000 0.9923291000000000 0.1242900700000000 0.7706095500000000 0.5076708999999999 0.1242900700000000 0.2293904500000000 0.0076709000000000 0.8757099300000000 0.2293904500000000 0.4923291000000000 0.2982799400000000 0.1031075400000000 0.5864480900000000 0.7017200600000000 0.1031075400000000 0.9135519100000000 0.7017200600000000 0.8968924600000000 0.4135519100000000 0.2982799400000000 0.8968924600000000 0.0864480900000000 0.2984183000000000 0.1823425900000000 0.3666031300000000 0.7015817000000000 0.1823425900000000 0.1333968700000000 0.7015817000000000 0.8176574100000000 0.6333968700000000 0.2984183000000000 0.8176574100000000 0.8666031300000000 0.1553876400000000 0.1431077600000000 0.4663448800000000 0.8446123600000000 0.1431077600000000 0.0336551200000000 0.8446123600000000 0.8568922400000000 0.5336551199999999 0.1553876400000000 0.8568922400000000 0.9663448800000000 0.7982799400000000 0.6031075400000000 0.5864480900000000 0.2017200600000000 0.6031075400000000 0.9135519100000000 0.2017200600000000 0.3968924600000000 0.4135519100000000 0.7982799400000000 0.3968924600000000 0.0864480900000000 0.7984183000000000 0.6823425900000000 0.3666031300000000 0.2015817000000000 0.6823425900000000 0.1333968700000000 0.2015817000000000 0.3176574100000000 0.6333968700000000 0.7984183000000000 0.3176574100000000 0.8666031300000000 0.6553876400000000 0.6431077599999999 0.4663448800000000 0.3446123600000000 0.6431077599999999 0.0336551200000000 0.3446123600000000 0.3568922400000000 0.5336551199999999 0.6553876400000000 0.3568922400000000 0.9663448800000000 0.1627674000000000 0.0803464800000000 0.6687165900000001 0.8372326000000000 0.0803464800000000 0.8312834099999999 0.8372326000000000 0.9196535200000000 0.3312834100000000 0.1627674000000000 0.9196535200000000 0.1687165900000000 0.5721094099999999 0.8454196300000000 0.5116762300000000 0.4278905900000000 0.8454196300000000 0.9883237700000000 0.4278905900000000 0.1545803700000000 0.4883237700000000 0.5721094099999999 0.1545803700000000 0.0116762300000000 0.6621962299999999 0.7247473600000001 0.2680190400000000 0.3378037700000000 0.7247473600000001 0.2319809600000000 0.3378037700000000 0.2752526400000000 0.7319809600000000 0.6621962299999999 0.2752526400000000 0.7680190400000000 0.2521464000000000 0.9554968200000000 0.4251893200000000 0.7478536000000000 0.9554968200000000 0.0748106800000000 0.7478536000000000 0.0445031800000000 0.5748106800000000 0.2521464000000000 0.0445031800000000 0.9251893200000000 0.3655561600000000 0.9049861900000000 0.6927122299999999 0.6344438400000000 0.9049861900000000 0.8072877700000000 0.6344438400000000 0.0950138100000000 0.3072877700000000 0.3655561600000000 0.0950138100000000 0.1927122300000000 0.0301848200000000 0.0065045400000000 0.4202630100000000 0.9698151800000000 0.0065045400000000 0.0797369900000000 0.9698151800000000 0.9934954600000000 0.5797369900000000 0.0301848200000000 0.9934954600000000 0.9202630100000000 0.6627674000000000 0.5803464800000000 0.6687165900000001 0.3372326000000000 0.5803464800000000 0.8312834099999999 0.3372326000000000 0.4196535200000000 0.3312834100000000 0.6627674000000000 0.4196535200000000 0.1687165900000000 0.0721094100000000 0.3454196300000000 0.5116762300000000 0.9278905900000000 0.3454196300000000 0.9883237700000000 0.9278905900000000 0.6545803700000000 0.4883237700000000 0.0721094100000000 0.6545803700000000 0.0116762300000000 0.1621962300000000 0.2247473600000000 0.2680190400000000 0.8378037700000001 0.2247473600000000 0.2319809600000000 0.8378037700000001 0.7752526399999999 0.7319809600000000 0.1621962300000000 0.7752526399999999 0.7680190400000000 0.7521464000000000 0.4554968200000000 0.4251893200000000 0.2478536000000000 0.4554968200000000 0.0748106800000000 0.2478536000000000 0.5445031800000000 0.5748106800000000 0.7521464000000000 0.5445031800000000 0.9251893200000000 0.8655561600000000 0.4049861900000000 0.6927122299999999 0.1344438400000000 0.4049861900000000 0.8072877700000000 0.1344438400000000 0.5950138100000000 0.3072877700000000 0.8655561600000000 0.5950138100000000 0.1927122300000000 0.5301848200000000 0.5065045400000000 0.4202630100000000 0.4698151800000000 0.5065045400000000 0.0797369900000000 0.4698151800000000 0.4934954600000000 0.5797369900000000 0.5301848200000000 0.4934954600000000 0.9202630100000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 337.429300 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 1 2 2 0.000 0.000 0.000