# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d9135a73-f7d7-4689-acc1-fff0f53aac1a/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 P3RhO9 / Cc (9) / materials id 14935](https://mdr.nims.go.jp/datasets/533de01e-9f0e-4e45-a10a-8bd582bbd15b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 108O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 36P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 12Rh 102.90600000 15.00000000 PAW_PBE Rh_pv 25Jan2005 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 O P Rh 1.0 13.0526671899999993 0.0000000000000000 -0.0027524500000000 0.0000000000000000 19.1133513400000012 0.0000000000000000 -5.6394370900000004 0.0000000000000000 7.4682253000000003 O P Rh 108 36 12Direct 0.0837941400000000 0.6788196200000001 0.8875180000000000 0.5837941400000000 0.8211803799999999 0.3875180000000000 0.7539225100000000 0.7913451400000000 0.2908687700000000 0.2539225100000000 0.7086548600000000 0.7908687700000000 0.2112486500000000 0.7922814600000000 0.1444973900000000 0.7112486499999999 0.7077185400000000 0.6444973899999999 0.1048109300000000 0.8129306900000000 0.7861671700000000 0.6048109300000000 0.6870693100000000 0.2861671700000000 0.0858704900000000 0.6320593299999999 0.3937630000000000 0.5858704900000000 0.8679406700000000 0.8937630000000000 0.4666803000000000 0.5714975799999999 0.3488027000000000 0.9666803000000000 0.9285024200000001 0.8488027000000000 0.3410327300000000 0.6678687500000000 0.1366834000000000 0.8410327300000000 0.8321312500000000 0.6366834000000000 0.4680954000000000 0.6878052000000000 0.4680353300000000 0.9680954000000001 0.8121948000000000 0.9680353300000000 0.9660268500000000 0.8541552900000000 0.4644634600000000 0.4660268500000000 0.6458447100000000 0.9644634600000001 0.0845935200000000 0.7311241100000000 0.2220503000000000 0.5845935200000000 0.7688758900000000 0.7220503000000000 0.3459432800000000 0.6669900900000000 0.6329114300000001 0.8459432800000000 0.8330099100000000 0.1329114300000000 0.0816332000000000 0.9388961500000000 0.7043237000000000 0.5816332000000000 0.5611038500000001 0.2043237000000000 0.4012296700000000 0.9020336799999999 0.2613802600000000 0.9012296700000000 0.5979663200000001 0.7613802600000000 0.1516936300000000 0.5051252600000000 0.8590134700000001 0.6516936300000000 0.9948747400000000 0.3590134700000000 0.5319684400000000 0.9776034000000000 0.5275399200000002 0.0319684400000000 0.5223966000000000 0.0275399200000000 0.5238845200000000 0.9037067400000000 0.1292154700000000 0.0238845200000000 0.5962932599999999 0.6292154700000000 0.2343195500000000 0.5511204400000000 0.6915819700000000 0.7343195499999999 0.9488795600000000 0.1915819700000000 0.4094122100000000 0.5222485900000000 0.6106451900000001 0.9094122099999999 0.9777514100000000 0.1106451900000000 0.7657247400000000 0.8872773300000000 0.8081224200000000 0.2657247400000000 0.6127226700000000 0.3081224200000000 0.4585548800000000 0.7644340000000001 0.8487763300000000 0.9585548800000000 0.7355659999999999 0.3487763300000000 0.6179795800000000 0.5194169399999999 0.9427919000000000 0.1179795800000000 0.9805830600000000 0.4427919000000000 0.3849475100000000 0.8382371000000000 0.5711831500000000 0.8849475100000000 0.6617629000000000 0.0711831500000000 0.7900640500000000 0.5310109400000000 0.8613902500000000 0.2900640500000000 0.9689890600000000 0.3613902500000000 0.2104092500000000 0.8590853400000000 0.6482319300000000 0.7104092500000000 0.6409146600000000 0.1482319300000000 0.3832040200000000 0.9660686500000000 0.7253661800000000 0.8832040200000000 0.5339313500000000 0.2253661800000000 0.6188108400000000 0.6387472100000000 0.7778882800000000 0.1188108400000000 0.8612527900000000 0.2778882800000000 0.8783572700000000 0.6916016600000000 0.5563454000000000 0.3783572700000000 0.8083983400000000 0.0563454000000000 0.5837941400000000 0.1788196200000000 0.8875180000000000 0.0837941400000000 0.3211803800000000 0.3875180000000000 0.2539225100000000 0.2913451400000000 0.2908687700000000 0.7539225100000000 0.2086548600000000 0.7908687700000000 0.7112486499999999 0.2922814600000000 0.1444973900000000 0.2112486500000000 0.2077185400000000 0.6444973899999999 0.6048109300000000 0.3129306900000000 0.7861671700000000 0.1048109300000000 0.1870693100000000 0.2861671700000000 0.5858704900000000 0.1320593300000000 0.3937630000000000 0.0858704900000000 0.3679406700000000 0.8937630000000000 0.9666803000000000 0.0714975800000000 0.3488027000000000 0.4666803000000000 0.4285024200000000 0.8488027000000000 0.8410327300000000 0.1678687500000000 0.1366834000000000 0.3410327300000000 0.3321312500000000 0.6366834000000000 0.9680954000000001 0.1878052000000000 0.4680353300000000 0.4680954000000000 0.3121948000000000 0.9680353300000000 0.4660268500000000 0.3541552900000000 0.4644634600000000 0.9660268500000000 0.1458447100000000 0.9644634600000001 0.5845935200000000 0.2311241100000000 0.2220503000000000 0.0845935200000000 0.2688758900000000 0.7220503000000000 0.8459432800000000 0.1669900900000000 0.6329114300000001 0.3459432800000000 0.3330099100000000 0.1329114300000000 0.5816332000000000 0.4388961500000000 0.7043237000000000 0.0816332000000000 0.0611038500000000 0.2043237000000000 0.9012296700000000 0.4020336800000000 0.2613802600000000 0.4012296700000000 0.0979663200000000 0.7613802600000000 0.6516936300000000 0.0051252600000000 0.8590134700000001 0.1516936300000000 0.4948747400000000 0.3590134700000000 0.0319684400000000 0.4776034000000000 0.5275399200000002 0.5319684400000000 0.0223966000000000 0.0275399200000000 0.0238845200000000 0.4037067400000000 0.1292154700000000 0.5238845200000000 0.0962932600000000 0.6292154700000000 0.7343195499999999 0.0511204400000000 0.6915819700000000 0.2343195500000000 0.4488795600000000 0.1915819700000000 0.9094122099999999 0.0222485900000000 0.6106451900000001 0.4094122100000000 0.4777514100000000 0.1106451900000000 0.2657247400000000 0.3872773300000000 0.8081224200000000 0.7657247400000000 0.1127226700000000 0.3081224200000000 0.9585548800000000 0.2644340000000000 0.8487763300000000 0.4585548800000000 0.2355660000000000 0.3487763300000000 0.1179795800000000 0.0194169400000000 0.9427919000000000 0.6179795800000000 0.4805830600000000 0.4427919000000000 0.8849475100000000 0.3382371000000000 0.5711831500000000 0.3849475100000000 0.1617629000000000 0.0711831500000000 0.2900640500000000 0.0310109400000000 0.8613902500000000 0.7900640500000000 0.4689890600000000 0.3613902500000000 0.7104092500000000 0.3590853400000000 0.6482319300000000 0.2104092500000000 0.1409146600000000 0.1482319300000000 0.8832040200000000 0.4660686500000000 0.7253661800000000 0.3832040200000000 0.0339313500000000 0.2253661800000000 0.1188108400000000 0.1387472100000000 0.7778882800000000 0.6188108400000000 0.3612527900000000 0.2778882800000000 0.3783572700000000 0.1916016600000000 0.5563454000000000 0.8783572700000000 0.3083983400000000 0.0563454000000000 0.9997429000000000 0.6850382900000000 0.2537215000000000 0.4997429000000000 0.8149617100000000 0.7537214999999999 0.6195409300000000 0.9677496000000000 0.1853090500000000 0.1195409300000000 0.5322504000000000 0.6853090500000000 0.0993983500000000 0.8624369600000000 0.6572324600000000 0.5993983500000000 0.6375630400000001 0.1572324600000000 0.6035415100000000 0.6965495700000000 0.6581248000000000 0.1035415100000000 0.8034504300000000 0.1581248000000000 0.8752063700000000 0.8643247100000000 0.8063784200000000 0.3752063700000000 0.6356752900000000 0.3063784200000000 0.0147065500000000 0.9827776400000000 0.7717686600000000 0.5147065500000000 0.5172223600000000 0.2717686600000000 0.9747577600000000 0.6468578899999999 0.7132121400000000 0.4747577600000000 0.8531421100000001 0.2132121400000000 0.3721375600000000 0.6964870300000000 0.8012929500000000 0.8721375600000000 0.8035129700000000 0.3012929500000000 0.8936246800000001 0.5255842600000000 0.8378392900000000 0.3936246800000000 0.9744157400000000 0.3378392900000000 0.4997429000000000 0.1850382900000000 0.2537215000000000 0.9997429000000000 0.3149617100000000 0.7537214999999999 0.1195409300000000 0.4677496000000000 0.1853090500000000 0.6195409300000000 0.0322504000000000 0.6853090500000000 0.5993983500000000 0.3624369600000000 0.6572324600000000 0.0993983500000000 0.1375630400000000 0.1572324600000000 0.1035415100000000 0.1965495700000000 0.6581248000000000 0.6035415100000000 0.3034504300000000 0.1581248000000000 0.3752063700000000 0.3643247100000000 0.8063784200000000 0.8752063700000000 0.1356752900000000 0.3063784200000000 0.5147065500000000 0.4827776400000000 0.7717686600000000 0.0147065500000000 0.0172223600000000 0.2717686600000000 0.4747577600000000 0.1468578900000000 0.7132121400000000 0.9747577600000000 0.3531421100000000 0.2132121400000000 0.8721375600000000 0.1964870300000000 0.8012929500000000 0.3721375600000000 0.3035129700000000 0.3012929500000000 0.3936246800000000 0.0255842600000000 0.8378392900000000 0.8936246800000001 0.4744157400000000 0.3378392900000000 0.2295588600000000 0.7446395600000000 0.9695635700000000 0.7295588600000000 0.7553604400000000 0.4695635700000000 0.7522866699999999 0.5881416500000001 0.0042901900000000 0.2522866700000000 0.9118583500000000 0.5042901900000001 0.7499756700000000 0.9196834600000000 0.9997101800000000 0.2499756700000000 0.5803165400000000 0.4997101800000000 0.7295588600000000 0.2446395600000000 0.9695635700000000 0.2295588600000000 0.2553604400000000 0.4695635700000000 0.2522866700000000 0.0881416500000000 0.0042901900000000 0.7522866699999999 0.4118583500000000 0.5042901900000001 0.2499756700000000 0.4196834600000000 0.9997101800000000 0.7499756700000000 0.0803165400000000 0.4997101800000000vasp-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 1 3 0.000 0.000 0.000