# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/398338c5-a662-432b-964d-46505a3cd152/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 CsAgSb4S7 / C2/c (15) / materials id 554408](https://mdr.nims.go.jp/datasets/c61b80e2-8bf2-4630-a828-b430808eee13)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Cs 132.90000000 9.00000000 PAW_PBE Cs_sv 08Apr2002 8Ag 107.86800000 17.00000000 PAW_PBE Ag_pv 09Dec2005 32Sb 121.75000000 5.00000000 PAW_PBE Sb 06Sep2000 56S 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 = 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 Cs Ag Sb S 1.0 25.7443686599999992 0.0000000000000000 -0.1516926200000000 0.0000000000000000 8.7317533300000001 0.0000000000000000 -1.6062721099999999 0.0000000000000000 11.8599992800000003 Cs Ag Sb S 8 8 32 56Direct 0.7500000000000000 0.7500000000000000 0.5000000000000000 0.5000000000000000 0.1612486500000000 0.2500000000000000 0.7500000000000000 0.2500000000000000 0.0000000000000000 0.0000000000000000 0.3387513500000000 0.7500000000000000 0.2500000000000000 0.2500000000000000 0.5000000000000000 0.0000000000000000 0.6612486500000000 0.2500000000000000 0.2500000000000000 0.7500000000000000 0.0000000000000000 0.5000000000000000 0.8387513500000000 0.7500000000000000 0.7458770600000000 0.0971585400000000 0.3190599600000000 0.7541229400000000 0.4028414600000000 0.6809400400000001 0.7458770600000000 0.9028414600000000 0.8190599600000000 0.7541229400000000 0.5971585400000000 0.1809400400000000 0.2458770600000000 0.5971585400000000 0.3190599600000000 0.2541229400000000 0.9028414600000000 0.6809400400000001 0.2458770600000000 0.4028414600000000 0.8190599600000000 0.2541229400000000 0.0971585400000000 0.1809400400000000 0.8541683799999999 0.8857774600000000 0.1759915400000000 0.6453287800000000 0.9049078200000000 0.0776477300000000 0.6453287800000000 0.0950921800000000 0.5776477300000000 0.8541683799999999 0.1142225400000000 0.6759915400000001 0.5707289300000000 0.4488385100000000 0.5879220100000000 0.5795156200000000 0.8012536400000000 0.3790335900000000 0.8546712200000000 0.5950921800000000 0.9223522700000000 0.6458316200000001 0.3857774600000000 0.3240084600000000 0.8546712200000000 0.4049078200000000 0.4223522700000000 0.5707289300000000 0.5511614899999999 0.0879220100000000 0.9292710700000000 0.0511614900000000 0.4120779900000000 0.9204843800000000 0.3012536400000000 0.1209664100000000 0.6458316200000001 0.6142225400000000 0.8240084599999999 0.9204843800000000 0.6987463600000000 0.6209664100000001 0.5795156200000000 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0.9120779900000000 0.6501067800000000 0.6793841500000000 0.2914086600000000 0.8350700700000000 0.9042127100000000 0.9661992200000000 0.9505198700000000 0.6743745900000000 0.9463873600000000 0.7395133899999999 0.3839060800000000 0.3075087400000000 0.7604866100000001 0.8839060800000000 0.1924912600000000 0.6140195700000000 0.1966927100000000 0.0790891700000000 0.8859804300000000 0.3033072900000000 0.9209108300000000 0.5384902899999999 0.5270206200000001 0.3876970500000000 0.5494801300000001 0.1743745900000000 0.5536126400000000 0.9505198700000000 0.3256254100000000 0.4463873600000000 0.7604866100000001 0.1160939200000000 0.6924912599999999 0.7395133899999999 0.6160939200000000 0.8075087400000001 0.9615097100000000 0.0270206200000000 0.1123029500000000 0.8498932200000000 0.1793841500000000 0.2085913400000000 0.9615097100000000 0.9729793799999999 0.6123029500000000 0.6525126500000000 0.0567436600000000 0.3752827000000000 0.8859804300000000 0.6966927100000000 0.4209108300000000 0.8474873500000000 0.4432563400000000 0.6247172999999999 0.6649299300000000 0.4042127100000000 0.5338007800000000 0.8350700700000000 0.0957872900000000 0.4661992200000000 0.5494801300000001 0.8256254100000000 0.0536126400000000 0.8474873500000000 0.5567436600000000 0.1247173000000000 0.5384902899999999 0.4729793800000000 0.8876970500000000 0.6525126500000000 0.9432563400000000 0.8752827000000000 0.6501067800000000 0.3206158500000000 0.7914086600000000 0.8498932200000000 0.8206158500000000 0.7085913400000000 0.6140195700000000 0.8033072900000000 0.5790891700000000 0.6649299300000000 0.5957872900000001 0.0338007800000000 0.1501067800000000 0.1793841500000000 0.2914086600000000 0.3350700700000000 0.4042127100000000 0.9661992200000000 0.4505198700000000 0.1743745900000000 0.9463873600000000 0.2395133900000000 0.8839060800000000 0.3075087400000000 0.2604866100000000 0.3839060800000000 0.1924912600000000 0.1140195700000000 0.6966927100000000 0.0790891700000000 0.3859804300000000 0.8033072900000000 0.9209108300000000 0.0384902900000000 0.0270206200000000 0.3876970500000000 0.0494801300000000 0.6743745900000000 0.5536126400000000 0.4505198700000000 0.8256254100000000 0.4463873600000000 0.2604866100000000 0.6160939200000000 0.6924912599999999 0.2395133900000000 0.1160939200000000 0.8075087400000001 0.4615097100000000 0.5270206200000001 0.1123029500000000 0.3498932200000000 0.6793841500000000 0.2085913400000000 0.4615097100000000 0.4729793800000000 0.6123029500000000 0.1525126500000000 0.5567436600000000 0.3752827000000000 0.3859804300000000 0.1966927100000000 0.4209108300000000 0.3474873500000000 0.9432563400000000 0.6247172999999999 0.1649299300000000 0.9042127100000000 0.5338007800000000 0.3350700700000000 0.5957872900000001 0.4661992200000000 0.0494801300000000 0.3256254100000000 0.0536126400000000 0.3474873500000000 0.0567436600000000 0.1247173000000000 0.0384902900000000 0.9729793799999999 0.8876970500000000 0.1525126500000000 0.4432563400000000 0.8752827000000000 0.1501067800000000 0.8206158500000000 0.7914086600000000 0.3498932200000000 0.3206158500000000 0.7085913400000000 0.1140195700000000 0.3033072900000000 0.5790891700000000 0.1649299300000000 0.0957872900000000 0.0338007800000000vasp-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 1 2 2 0.000 0.000 0.000