# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6d0953d7-1a45-49fe-aaa5-0e145d3251e0/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 K2PdSe10 / I-42d (122) / materials id 505138](https://mdr.nims.go.jp/datasets/406d0e52-2e0c-486a-95eb-c6adc3f9a6f9)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Pd 106.42000000 16.00000000 PAW_PBE Pd_pv 28Jan2005 80Se 78.96000000 6.00000000 PAW_PBE Se 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 = 326.202500 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 Pd Se K 1.0 15.7155274200000008 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.7155274200000008 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.3137337599999999 Pd Se K 8 80 16Direct 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.7500000000000000 0.0000000000000000 0.5000000000000000 0.2500000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.2500000000000000 0.5000000000000000 0.0000000000000000 0.7500000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.3580594600000000 0.4367008500000000 0.0077063400000000 0.6419405400000000 0.5632991500000000 0.0077063400000000 0.1419405400000000 0.4367008500000000 0.7422936600000001 0.8580594600000000 0.5632991500000000 0.7422936600000001 0.7589495400000000 0.0471214900000000 0.4716214600000000 0.7410504600000001 0.4528785100000000 0.9716214600000000 0.7410504600000001 0.0471214900000000 0.2783785400000000 0.7589495400000000 0.4528785100000000 0.7783785400000001 0.4367008500000000 0.6419405400000000 0.9922936600000000 0.5632991500000000 0.3580594600000000 0.9922936600000000 0.0632991500000000 0.6419405400000000 0.7577063400000000 0.9367008500000000 0.3580594600000000 0.7577063400000000 0.5471214900000000 0.7410504600000001 0.0283785400000000 0.9528785100000000 0.7589495400000000 0.5283785400000001 0.9528785100000000 0.7410504600000001 0.7216214599999999 0.5471214900000000 0.7589495400000000 0.2216214600000000 0.1548748400000000 0.5065732900000000 0.2554752500000000 0.8451251600000000 0.4934267100000000 0.2554752500000000 0.3451251600000000 0.5065732900000000 0.4945247500000000 0.6548748400000000 0.4934267100000000 0.4945247500000000 0.8113871900000000 0.3559897400000000 0.1863604200000000 0.6886128100000000 0.1440102600000000 0.6863604200000000 0.6886128100000000 0.3559897400000000 0.5636395800000000 0.8113871900000000 0.1440102600000000 0.0636395800000000 0.8195427800000000 0.2586189000000000 0.3361241300000000 0.6804572200000000 0.2413811000000000 0.8361241300000000 0.6804572200000000 0.2586189000000000 0.4138758700000000 0.8195427800000000 0.2413811000000000 0.9138758700000000 0.9934267100000000 0.6548748400000000 0.2445247500000000 0.0065732900000000 0.3451251600000000 0.2445247500000000 0.5065732900000000 0.6548748400000000 0.5054752499999999 0.4934267100000000 0.3451251600000000 0.5054752499999999 0.8559897400000001 0.6886128100000000 0.3136395800000000 0.6440102599999999 0.8113871900000000 0.8136395800000000 0.6440102599999999 0.6886128100000000 0.4363604200000000 0.8559897400000001 0.8113871900000000 0.9363604200000000 0.7413811000000000 0.8195427800000000 0.6638758700000000 0.7586189000000000 0.6804572200000000 0.1638758700000000 0.7586189000000000 0.8195427800000000 0.0861241300000000 0.7413811000000000 0.6804572200000000 0.5861241300000000 0.8580594600000000 0.9367008500000000 0.5077063399999999 0.1419405400000000 0.0632991500000000 0.5077063399999999 0.6419405400000000 0.9367008500000000 0.2422936600000000 0.3580594600000000 0.0632991500000000 0.2422936600000000 0.2589495400000000 0.5471214900000000 0.9716214600000000 0.2410504600000000 0.9528785100000000 0.4716214600000000 0.2410504600000000 0.5471214900000000 0.7783785400000001 0.2589495400000000 0.9528785100000000 0.2783785400000000 0.9367008500000000 0.1419405400000000 0.4922936600000000 0.0632991500000000 0.8580594600000000 0.4922936600000000 0.5632991500000000 0.1419405400000000 0.2577063400000000 0.4367008500000000 0.8580594600000000 0.2577063400000000 0.0471214900000000 0.2410504600000000 0.5283785400000001 0.4528785100000000 0.2589495400000000 0.0283785400000000 0.4528785100000000 0.2410504600000000 0.2216214600000000 0.0471214900000000 0.2589495400000000 0.7216214599999999 0.6548748400000000 0.0065732900000000 0.7554752499999999 0.3451251600000000 0.9934267100000000 0.7554752499999999 0.8451251600000000 0.0065732900000000 0.9945247500000000 0.1548748400000000 0.9934267100000000 0.9945247500000000 0.3113871900000000 0.8559897400000001 0.6863604200000000 0.1886128100000000 0.6440102599999999 0.1863604200000000 0.1886128100000000 0.8559897400000001 0.0636395800000000 0.3113871900000000 0.6440102599999999 0.5636395800000000 0.3195427800000000 0.7586189000000000 0.8361241300000000 0.1804572200000000 0.7413811000000000 0.3361241300000000 0.1804572200000000 0.7586189000000000 0.9138758700000000 0.3195427800000000 0.7413811000000000 0.4138758700000000 0.4934267100000000 0.1548748400000000 0.7445247500000001 0.5065732900000000 0.8451251600000000 0.7445247500000001 0.0065732900000000 0.1548748400000000 0.0054752500000000 0.9934267100000000 0.8451251600000000 0.0054752500000000 0.3559897400000000 0.1886128100000000 0.8136395800000000 0.1440102600000000 0.3113871900000000 0.3136395800000000 0.1440102600000000 0.1886128100000000 0.9363604200000000 0.3559897400000000 0.3113871900000000 0.4363604200000000 0.2413811000000000 0.3195427800000000 0.1638758700000000 0.2586189000000000 0.1804572200000000 0.6638758700000000 0.2586189000000000 0.3195427800000000 0.5861241300000000 0.2413811000000000 0.1804572200000000 0.0861241300000000 0.3943246600000000 0.5890516000000000 0.2493784800000000 0.6056753400000000 0.4109484000000000 0.2493784800000000 0.1056753400000000 0.5890516000000000 0.5006215199999999 0.8943246600000000 0.4109484000000000 0.5006215199999999 0.0890516000000000 0.3943246600000000 0.9993784800000000 0.9109484000000000 0.6056753400000000 0.9993784800000000 0.4109484000000000 0.3943246600000000 0.7506215199999999 0.5890516000000000 0.6056753400000000 0.7506215199999999 0.8943246600000000 0.0890516000000000 0.7493784800000001 0.1056753400000000 0.9109484000000000 0.7493784800000001 0.6056753400000000 0.0890516000000000 0.0006215200000000 0.3943246600000000 0.9109484000000000 0.0006215200000000 0.5890516000000000 0.8943246600000000 0.4993784800000000 0.4109484000000000 0.1056753400000000 0.4993784800000000 0.9109484000000000 0.8943246600000000 0.2506215200000000 0.0890516000000000 0.1056753400000000 0.2506215200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 326.202500 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 1 2 0.000 0.000 0.000