# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/859b6103-7bae-4911-91d1-243fc28eff3d/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 K2(ReS2)3 / C2/c (15) / materials id 541638](https://mdr.nims.go.jp/datasets/bc29a0bc-625b-4939-a99b-ae2a3b81e27a)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Re 186.20700000 13.00000000 PAW_PBE Re_pv 06Sep2000 48S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 16K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 336.295700 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 Re S K 1.0 16.4671519199999992 0.0000000000000000 -0.0076372200000000 0.0000000000000000 9.7101616400000008 0.0000000000000000 -0.2915434300000000 0.0000000000000000 11.8199507100000005 Re S K 24 48 16Direct 0.1556536800000000 0.1511947200000000 0.4740000400000000 0.8443463200000000 0.1511947200000000 0.0259999600000000 0.8443463200000000 0.8488052800000000 0.5259999600000000 0.1556536800000000 0.8488052800000000 0.9740000400000000 0.2932316400000000 0.1763047800000000 0.3691144000000000 0.7067683600000000 0.1763047800000000 0.1308856000000000 0.7067683600000000 0.8236952200000001 0.6308856000000000 0.2932316400000000 0.8236952200000001 0.8691144000000000 0.7070735300000000 0.8960890100000000 0.4155709400000000 0.2929264700000000 0.8960890100000000 0.0844290600000000 0.2929264700000000 0.1039109900000000 0.5844290599999999 0.7070735300000000 0.1039109900000000 0.9155709400000001 0.6556536800000000 0.6511947200000000 0.4740000400000000 0.3443463200000000 0.6511947200000000 0.0259999600000000 0.3443463200000000 0.3488052800000000 0.5259999600000000 0.6556536800000000 0.3488052800000000 0.9740000400000000 0.7932316400000000 0.6763047799999999 0.3691144000000000 0.2067683600000000 0.6763047799999999 0.1308856000000000 0.2067683600000000 0.3236952200000000 0.6308856000000000 0.7932316400000000 0.3236952200000000 0.8691144000000000 0.2070735300000000 0.3960890100000000 0.4155709400000000 0.7929264700000000 0.3960890100000000 0.0844290600000000 0.7929264700000000 0.6039109899999999 0.5844290599999999 0.2070735300000000 0.6039109899999999 0.9155709400000001 0.1639962400000000 0.0911298500000000 0.6703360100000000 0.8360037600000000 0.0911298500000000 0.8296639900000000 0.8360037600000000 0.9088701500000000 0.3296639900000000 0.1639962400000000 0.9088701500000000 0.1703360100000000 0.7569573100000000 0.9596040400000000 0.0690488700000000 0.2430426900000000 0.9596040400000000 0.4309511300000000 0.2430426900000000 0.0403959600000000 0.9309511300000000 0.7569573100000000 0.0403959600000000 0.5690488700000000 0.3358320500000000 0.2769047300000000 0.7193952600000000 0.6641679500000000 0.2769047300000000 0.7806047400000000 0.6641679500000000 0.7230952700000000 0.2806047400000000 0.3358320500000000 0.7230952700000000 0.2193952600000000 0.4168557900000000 0.1390882400000000 0.4807846500000000 0.5831442099999999 0.1390882400000000 0.0192153500000000 0.5831442099999999 0.8609117600000000 0.5192153500000001 0.4168557900000000 0.8609117600000000 0.9807846500000000 0.5294542600000001 0.4701333100000000 0.9250191600000000 0.4705457400000000 0.4701333100000000 0.5749808400000000 0.4705457400000000 0.5298666900000000 0.0749808400000000 0.5294542600000001 0.5298666900000000 0.4250191600000000 0.3528356500000000 0.0858048600000000 0.1960053000000000 0.6471643499999999 0.0858048600000000 0.3039947000000000 0.6471643499999999 0.9141951400000000 0.8039947000000001 0.3528356500000000 0.9141951400000000 0.6960052999999999 0.6639962400000000 0.5911298500000000 0.6703360100000000 0.3360037600000000 0.5911298500000000 0.8296639900000000 0.3360037600000000 0.4088701500000000 0.3296639900000000 0.6639962400000000 0.4088701500000000 0.1703360100000000 0.2569573100000000 0.4596040400000000 0.0690488700000000 0.7430426900000000 0.4596040400000000 0.4309511300000000 0.7430426900000000 0.5403959600000000 0.9309511300000000 0.2569573100000000 0.5403959600000000 0.5690488700000000 0.8358320500000000 0.7769047300000000 0.7193952600000000 0.1641679500000000 0.7769047300000000 0.7806047400000000 0.1641679500000000 0.2230952700000000 0.2806047400000000 0.8358320500000000 0.2230952700000000 0.2193952600000000 0.9168557900000001 0.6390882400000000 0.4807846500000000 0.0831442100000000 0.6390882400000000 0.0192153500000000 0.0831442100000000 0.3609117600000000 0.5192153500000001 0.9168557900000001 0.3609117600000000 0.9807846500000000 0.0294542600000000 0.9701333100000000 0.9250191600000000 0.9705457400000000 0.9701333100000000 0.5749808400000000 0.9705457400000000 0.0298666900000000 0.0749808400000000 0.0294542600000000 0.0298666900000000 0.4250191600000000 0.8528356500000001 0.5858048600000000 0.1960053000000000 0.1471643500000000 0.5858048600000000 0.3039947000000000 0.1471643500000000 0.4141951400000000 0.8039947000000001 0.8528356500000001 0.4141951400000000 0.6960052999999999 0.5000000000000000 0.8942612200000000 0.2500000000000000 0.5000000000000000 0.1057387800000000 0.7500000000000000 0.5000000000000000 0.2869469800000000 0.2500000000000000 0.5000000000000000 0.7130530200000000 0.7500000000000000 0.3833838800000000 0.2600879000000000 0.9805611000000000 0.6166161200000000 0.2600879000000000 0.5194388999999999 0.6166161200000000 0.7399121000000000 0.0194389000000000 0.3833838800000000 0.7399121000000000 0.4805611000000000 0.0000000000000000 0.3942612200000000 0.2500000000000000 0.0000000000000000 0.6057387800000000 0.7500000000000000 0.0000000000000000 0.7869469800000000 0.2500000000000000 0.0000000000000000 0.2130530200000000 0.7500000000000000 0.8833838800000000 0.7600879000000000 0.9805611000000000 0.1166161200000000 0.7600879000000000 0.5194388999999999 0.1166161200000000 0.2399121000000000 0.0194389000000000 0.8833838800000000 0.2399121000000000 0.4805611000000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 336.295700 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