# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/874c3b2e-58c9-44cd-aac7-5d7b4abd77d0/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 Rb2(ReS2)3 / C2/c (15) / materials id 557824](https://mdr.nims.go.jp/datasets/7f51c71a-6034-492c-9cef-3285641ea41c)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 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 = 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 Rb Re S 1.0 16.8832033899999985 0.0000000000000000 -0.0008704800000000 0.0000000000000000 9.7861277900000001 0.0000000000000000 -0.2830318100000000 0.0000000000000000 11.9581365999999996 Rb Re S 16 24 48Direct 0.5000000000000000 0.8780298300000000 0.2500000000000000 0.3860745100000000 0.7525325100000000 0.4809545600000000 0.5000000000000000 0.2837509000000000 0.2500000000000000 0.6139254900000000 0.2474674900000000 0.5190454400000000 0.5000000000000000 0.7162491000000000 0.7500000000000000 0.3860745100000000 0.2474674900000000 0.9809545600000000 0.5000000000000000 0.1219701700000000 0.7500000000000000 0.6139254900000000 0.7525325100000000 0.0190454400000000 0.0000000000000000 0.3780298300000000 0.2500000000000000 0.8860745100000000 0.2525325100000000 0.4809545600000000 0.0000000000000000 0.7837509000000000 0.2500000000000000 0.1139254900000000 0.7474674900000000 0.5190454400000000 0.0000000000000000 0.2162491000000000 0.7500000000000000 0.8860745100000000 0.7474674900000000 0.9809545600000000 0.0000000000000000 0.6219701700000000 0.7500000000000000 0.1139254900000000 0.2525325100000000 0.0190454400000000 0.1566927200000000 0.8471027900000000 0.9778124400000000 0.2912166200000000 0.1705580200000000 0.3723836900000000 0.7087833800000001 0.1705580200000000 0.1276163100000000 0.2912166200000000 0.8294419800000000 0.8723836899999999 0.8433072800000000 0.1528972100000000 0.0221875600000000 0.7089567100000000 0.8921737900000000 0.4127661900000000 0.7089567100000000 0.1078262100000000 0.9127661900000000 0.2910432900000000 0.8921737900000000 0.0872338100000000 0.8433072800000000 0.8471027900000000 0.5221875600000000 0.1566927200000000 0.1528972100000000 0.4778124400000000 0.7087833800000001 0.8294419800000000 0.6276163100000001 0.2910432900000000 0.1078262100000000 0.5872338100000001 0.6566927200000000 0.3471027900000000 0.9778124400000000 0.7912166200000000 0.6705580200000000 0.3723836900000000 0.2087833800000000 0.6705580200000000 0.1276163100000000 0.7912166200000000 0.3294419800000000 0.8723836899999999 0.3433072800000000 0.6528972100000000 0.0221875600000000 0.2089567100000000 0.3921737900000000 0.4127661900000000 0.2089567100000000 0.6078262100000000 0.9127661900000000 0.7910432900000000 0.3921737900000000 0.0872338100000000 0.3433072800000000 0.3471027900000000 0.5221875600000000 0.6566927200000000 0.6528972100000000 0.4778124400000000 0.2087833800000000 0.3294419800000000 0.6276163100000001 0.7910432900000000 0.6078262100000000 0.5872338100000001 0.1658626300000000 0.1007541900000000 0.6733681400000000 0.8341373700000000 0.1007541900000000 0.8266318600000000 0.3341091100000000 0.7150031100000001 0.2153761400000000 0.7599324100000000 0.0399049100000000 0.5601822000000001 0.3491204600000000 0.9250598500000000 0.7032048799999999 0.3491204600000000 0.0749401500000000 0.2032048800000000 0.2400675900000000 0.0399049100000000 0.9398178000000000 0.5881893100000000 0.8652621100000000 0.5173918700000000 0.7599324100000000 0.9600950900000000 0.0601822000000000 0.5315462700000000 0.5336338900000002 0.4287190200000000 0.4684537300000000 0.5336338900000002 0.0712809800000000 0.6658908900000000 0.7150031100000001 0.2846238600000000 0.2400675900000000 0.9600950900000000 0.4398178000000000 0.3341091100000000 0.2849968900000000 0.7153761400000000 0.8341373700000000 0.8992458100000000 0.3266318600000000 0.4684537300000000 0.4663661100000000 0.5712809800000000 0.5315462700000000 0.4663661100000000 0.9287190200000000 0.6508795400000000 0.0749401500000000 0.2967951200000000 0.6508795400000000 0.9250598500000000 0.7967951200000000 0.5881893100000000 0.1347378900000000 0.0173918700000000 0.6658908900000000 0.2849968900000000 0.7846238600000000 0.1658626300000000 0.8992458100000000 0.1733681400000000 0.4118106900000000 0.8652621100000000 0.9826081300000000 0.4118106900000000 0.1347378900000000 0.4826081300000000 0.6658626300000000 0.6007541900000000 0.6733681400000000 0.3341373700000000 0.6007541900000000 0.8266318600000000 0.8341091100000000 0.2150031100000000 0.2153761400000000 0.2599324100000000 0.5399049100000000 0.5601822000000001 0.8491204600000000 0.4250598500000000 0.7032048799999999 0.8491204600000000 0.5749401500000000 0.2032048800000000 0.7400675900000000 0.5399049100000000 0.9398178000000000 0.0881893100000000 0.3652621100000000 0.5173918700000000 0.2599324100000000 0.4600950900000000 0.0601822000000000 0.0315462700000000 0.0336338900000000 0.4287190200000000 0.9684537300000000 0.0336338900000000 0.0712809800000000 0.1658908900000000 0.2150031100000000 0.2846238600000000 0.7400675900000000 0.4600950900000000 0.4398178000000000 0.8341091100000000 0.7849968899999999 0.7153761400000000 0.3341373700000000 0.3992458100000000 0.3266318600000000 0.9684537300000000 0.9663661099999999 0.5712809800000000 0.0315462700000000 0.9663661099999999 0.9287190200000000 0.1508795400000000 0.5749401500000000 0.2967951200000000 0.1508795400000000 0.4250598500000000 0.7967951200000000 0.0881893100000000 0.6347378900000000 0.0173918700000000 0.1658908900000000 0.7849968899999999 0.7846238600000000 0.6658626300000000 0.3992458100000000 0.1733681400000000 0.9118106900000000 0.3652621100000000 0.9826081300000000 0.9118106900000000 0.6347378900000000 0.4826081300000000vasp-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