Element = Ir

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
112 Ir.pbe-n-rrkjus.UPF GGA PBE Y RRKJ Y N none QE
113 Ir.pbe-n-van.UPF GGA PBE Y Van Y N none QE
114 Ir.pw91-n-van.UPF GGA PW91 Y Van Y N none QE
332 77ir.pspnc LDA TP N TM N N unknown Abinit
437 77-Ir.GGA.fhi GGA PBE N TM N N none Abinit
580 77ir.9.hgh LDA TP N HGH N N none Abinit
581 77ir.17.hgh LDA TP N HGH N N sp Abinit
722 Ir_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
723 Ir_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
852 ir.optgga1.fhi GGA PBE N BR N N none Abinit
853 ir.optgga2.fhi GGA PBE N BR N N none Abinit
854 ir.optgga3.fhi GGA PBE N BR N N none Abinit
919 Ir.psf LDA PZ N TM N N none Siesta
991 Ir-gga.psf GGA PBE N TM N N none Siesta
1044 Ir.rel-pbe-n-kjpaw.UPF GGA PBE N PAW Y Y none QE
1045 Ir.rel-pz-n-kjpaw.UPF LDA PZ N PAW Y Y none QE
1118 Ir.pbe-n-kjpaw.UPF GGA PBE N PAW Y N none QE
1119 Ir.pz-n-kjpaw.UPF LDA PZ N PAW Y N none QE

18 pseudopotentials found in the Virtual Vault

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