# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b54b697b-d9eb-459b-9d7a-e63c37a46c86/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 KHo(PO3)4 / C2/c (15) / materials id 554505](https://mdr.nims.go.jp/datasets/a31ce9e5-65c6-42ba-a11a-e91e5dd143c3)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 8Ho 164.93000000 9.00000000 PAW_PBE Ho_3 06Sep2000 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 96O 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 K Ho P O 1.0 7.8169487000000002 0.0000000000000000 -0.0193518300000000 0.0000000000000000 12.3818116699999994 0.0000000000000000 -3.7492212000000000 0.0000000000000000 9.7159546399999996 K Ho P O 4 4 16 48Direct 0.5000000000000000 0.6858130099999999 0.7500000000000000 0.0000000000000000 0.8141869900000001 0.2500000000000000 0.0000000000000000 0.1858130100000000 0.7500000000000000 0.5000000000000000 0.3141869900000000 0.2500000000000000 0.5000000000000000 0.6192690599999999 0.2500000000000000 0.0000000000000000 0.8807309400000000 0.7500000000000000 0.0000000000000000 0.1192690600000000 0.2500000000000000 0.5000000000000000 0.3807309400000000 0.7500000000000000 0.7215298000000000 0.9751894100000000 0.9419237200000000 0.7215298000000000 0.0248105900000000 0.4419237200000000 0.7784702000000000 0.4751894100000000 0.5580762800000000 0.4557844400000000 0.8291020000000000 0.0050263400000000 0.5442155600000000 0.8291020000000000 0.4949736600000000 0.0442155600000000 0.6708980000000000 0.9949736600000000 0.9557844400000000 0.6708980000000000 0.5050263400000000 0.7784702000000000 0.5248105900000000 0.0580762800000000 0.2215298000000000 0.4751894100000000 0.9419237200000000 0.2215298000000000 0.5248105900000000 0.4419237200000000 0.2784702000000000 0.9751894100000000 0.5580762800000000 0.9557844400000000 0.3291020000000000 0.0050263400000000 0.0442155600000000 0.3291020000000000 0.4949736600000000 0.5442155600000000 0.1708980000000000 0.9949736600000000 0.4557844400000000 0.1708980000000000 0.5050263400000000 0.2784702000000000 0.0248105900000000 0.0580762800000000 0.3996248800000000 0.8695198000000000 0.5633889599999999 0.8560162600000000 0.9900102300000000 0.0861138400000000 0.7160719300000000 0.5326866000000000 0.1765525400000000 0.6439837400000000 0.5099897700000000 0.9138861600000000 0.7839280700000000 0.0326866000000000 0.3234474600000000 0.7849900100000000 0.3017153200000000 0.8856280400000001 0.8560162600000000 0.0099897700000000 0.5861138400000000 0.9310704200000000 0.4304170100000000 0.0915225100000000 0.7839280700000000 0.9673134000000000 0.8234474600000000 0.5689295800000000 0.0695829900000000 0.9084774900000000 0.6439837400000000 0.4900102300000000 0.4138861600000000 0.7150099900000000 0.1982846800000000 0.1143719600000000 0.7849900100000000 0.6982846800000000 0.3856280400000000 0.0544751500000000 0.7572954000000001 0.6052228500000000 0.6003751200000000 0.8695198000000000 0.9366110400000001 0.4455248500000000 0.7427045999999999 0.3947771500000000 0.1003751200000000 0.6304802000000000 0.4366110400000000 0.5544751500000000 0.7427045999999999 0.1052228500000000 0.9455248500000000 0.7572954000000001 0.8947771500000000 0.8996248800000000 0.6304802000000000 0.0633889600000000 0.9310704200000000 0.5695829900000000 0.5915225100000000 0.5689295800000000 0.9304170100000000 0.4084774900000000 0.7150099900000000 0.8017153200000000 0.6143719599999999 0.7160719300000000 0.4673134000000000 0.6765525400000000 0.8996248800000000 0.3695198000000000 0.5633889599999999 0.3560162600000000 0.4900102300000000 0.0861138400000000 0.2160719300000000 0.0326866000000000 0.1765525400000000 0.1439837400000000 0.0099897700000000 0.9138861600000000 0.2839280700000000 0.5326866000000000 0.3234474600000000 0.2849900100000000 0.8017153200000000 0.8856280400000001 0.3560162600000000 0.5099897700000000 0.5861138400000000 0.4310704200000000 0.9304170100000000 0.0915225100000000 0.2839280700000000 0.4673134000000000 0.8234474600000000 0.0689295800000000 0.5695829900000000 0.9084774900000000 0.1439837400000000 0.9900102300000000 0.4138861600000000 0.2150099900000000 0.6982846800000000 0.1143719600000000 0.2849900100000000 0.1982846800000000 0.3856280400000000 0.5544751500000000 0.2572954000000000 0.6052228500000000 0.1003751200000000 0.3695198000000000 0.9366110400000001 0.9455248500000000 0.2427046000000000 0.3947771500000000 0.6003751200000000 0.1304802000000000 0.4366110400000000 0.0544751500000000 0.2427046000000000 0.1052228500000000 0.4455248500000000 0.2572954000000000 0.8947771500000000 0.3996248800000000 0.1304802000000000 0.0633889600000000 0.4310704200000000 0.0695829900000000 0.5915225100000000 0.0689295800000000 0.4304170100000000 0.4084774900000000 0.2150099900000000 0.3017153200000000 0.6143719599999999 0.2160719300000000 0.9673134000000000 0.6765525400000000vasp-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 3 2 2 0.000 0.000 0.000