# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bb74c698-b868-4c7f-b38c-081e4f00180c/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 GePb5O7 / Pbca (61) / materials id 583345](https://mdr.nims.go.jp/datasets/ab62d7bd-69b8-4f74-a850-dae5622f17de)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 40Pb 207.20000000 14.00000000 PAW_PBE Pb_d 06Sep2000 56O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 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 Ge Pb O 1.0 9.3109173199999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.5691296599999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 17.2494920699999987 Ge Pb O 8 40 56Direct 0.5140321100000000 0.1865588400000000 0.5996846600000000 0.9859678900000000 0.6865588400000000 0.5996846600000000 0.0140321100000000 0.3134411600000000 0.4003153400000000 0.9859678900000000 0.8134411600000000 0.0996846600000000 0.4859678900000000 0.6865588400000000 0.9003153400000000 0.5140321100000000 0.3134411600000000 0.0996846600000000 0.4859678900000000 0.8134411600000000 0.4003153400000000 0.0140321100000000 0.1865588400000000 0.9003153400000000 0.7018805900000000 0.0839157100000000 0.4206653900000000 0.7055193500000000 0.8875729200000000 0.5797464400000000 0.0104866500000000 0.8844478400000000 0.4263567300000000 0.9797197800000000 0.4181373100000000 0.7673846700000000 0.5104866500000000 0.6155521600000000 0.5736432700000000 0.2944806500000000 0.1124270800000000 0.4202535600000000 0.9797197800000000 0.0818626900000000 0.2673846700000000 0.9895133500000000 0.1155521600000000 0.5736432700000000 0.2944806500000000 0.3875729200000000 0.9202535600000000 0.7018805900000000 0.4160842900000000 0.9206653900000000 0.4797197800000000 0.4181373100000000 0.7326153300000000 0.4895133500000000 0.1155521600000000 0.9263567300000000 0.0104866500000000 0.6155521600000000 0.9263567300000000 0.2394908100000000 0.8437514200000000 0.2545669900000000 0.7981194100000000 0.5839157100000000 0.4206653900000000 0.2605091900000000 0.1562485800000000 0.7545669900000000 0.2981194100000000 0.9160842900000000 0.5793346100000001 0.7394908099999999 0.6562485800000000 0.7454330100000000 0.4895133500000000 0.3844478400000000 0.4263567300000000 0.4797197800000000 0.0818626900000000 0.2326153300000000 0.2018805900000000 0.0839157100000000 0.0793346100000000 0.5202802200000001 0.9181373100000000 0.7673846700000000 0.2394908100000000 0.6562485800000000 0.7545669900000000 0.0202802200000000 0.9181373100000000 0.7326153300000000 0.0202802200000000 0.5818626900000000 0.2326153300000000 0.7944806500000000 0.3875729200000000 0.5797464400000000 0.7605091900000001 0.1562485800000000 0.7454330100000000 0.7981194100000000 0.9160842900000000 0.9206653900000000 0.7055193500000000 0.6124270800000000 0.0797464400000000 0.2055193500000000 0.8875729200000000 0.9202535600000000 0.5202802200000001 0.5818626900000000 0.2673846700000000 0.2055193500000000 0.6124270800000000 0.4202535600000000 0.2605091900000000 0.3437514200000000 0.2545669900000000 0.5104866500000000 0.8844478400000000 0.0736432700000000 0.7394908099999999 0.8437514200000000 0.2454330100000000 0.2981194100000000 0.5839157100000000 0.0793346100000000 0.7605091900000001 0.3437514200000000 0.2454330100000000 0.2018805900000000 0.4160842900000000 0.5793346100000001 0.7944806500000000 0.1124270800000000 0.0797464400000000 0.9895133500000000 0.3844478400000000 0.0736432700000000 0.5908454100000000 0.9026444200000000 0.4596211900000000 0.8531065200000000 0.0171345400000000 0.6702715500000000 0.6468934800000000 0.5171345400000000 0.6702715500000000 0.0908454100000000 0.9026444200000000 0.0403788100000000 0.1468934800000000 0.9828654600000000 0.3297284500000000 0.8517211600000000 0.9919529600000000 0.5027035300000000 0.0303236100000000 0.3809175900000000 0.3076957400000000 0.4091545900000000 0.0973555800000000 0.5403788100000000 0.6733700600000000 0.0322434300000000 0.8311572800000000 0.4696763900000000 0.6190824100000001 0.8076957400000000 0.3266299400000000 0.5322434300000001 0.6688427200000000 0.4091545900000000 0.4026444200000000 0.0403788100000000 0.9696763900000001 0.8809175900000000 0.1923042600000000 0.0652683200000000 0.6757384000000000 0.1141033100000000 0.1482788400000000 0.0080470400000000 0.4972964700000000 0.4347316800000000 0.3242616000000000 0.6141033100000000 0.9347316800000000 0.1757384000000000 0.3858966900000000 0.3517211600000000 0.5080470400000000 0.4972964700000000 0.8266299400000000 0.9677565700000000 0.3311572800000000 0.6468934800000000 0.9828654600000000 0.1702715500000000 0.1468934800000000 0.5171345400000000 0.8297284500000000 0.4696763900000000 0.8809175900000000 0.3076957400000000 0.6859253000000001 0.2893871900000000 0.0573939700000000 0.3531065200000000 0.4828654600000000 0.3297284500000000 0.8517211600000000 0.5080470400000000 0.0027035300000000 0.3266299400000000 0.9677565700000000 0.1688427200000000 0.3531065200000000 0.0171345400000000 0.8297284500000000 0.9091545900000000 0.0973555800000000 0.9596211900000000 0.1859253000000000 0.2893871900000000 0.4426060300000000 0.9347316800000000 0.3242616000000000 0.8858966900000000 0.6733700600000000 0.4677565700000000 0.3311572800000000 0.5652683199999999 0.8242616000000000 0.8858966900000000 0.0303236100000000 0.1190824100000000 0.8076957400000000 0.8140747000000000 0.7106128100000000 0.5573939700000000 0.8531065200000000 0.4828654600000000 0.1702715500000000 0.4347316800000000 0.1757384000000000 0.1141033100000000 0.1733700600000000 0.4677565700000000 0.1688427200000000 0.5908454100000000 0.5973555800000000 0.9596211900000000 0.6482788400000000 0.0080470400000000 0.0027035300000000 0.1859253000000000 0.2106128100000000 0.9426060300000000 0.5652683199999999 0.6757384000000000 0.3858966900000000 0.1482788400000000 0.4919529600000000 0.9972964700000000 0.8266299400000000 0.5322434300000001 0.8311572800000000 0.5303236099999999 0.1190824100000000 0.6923042600000000 0.9091545900000000 0.4026444200000000 0.4596211900000000 0.3140747000000000 0.7893871900000000 0.4426060300000000 0.6482788400000000 0.4919529600000000 0.5027035300000000 0.6859253000000001 0.2106128100000000 0.5573939700000000 0.3517211600000000 0.9919529600000000 0.9972964700000000 0.1733700600000000 0.0322434300000000 0.6688427200000000 0.0908454100000000 0.5973555800000000 0.5403788100000000 0.0652683200000000 0.8242616000000000 0.6141033100000000 0.8140747000000000 0.7893871900000000 0.0573939700000000 0.5303236099999999 0.3809175900000000 0.1923042600000000 0.3140747000000000 0.7106128100000000 0.9426060300000000 0.9696763900000001 0.6190824100000001 0.6923042600000000vasp-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 2 1 0.000 0.000 0.000