Element = I

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
111 I.pbe-mt_bw.UPF GGA PBE N TM N N none QE
308 53i.pspnc LDA TP N TM N N unknown Abinit
419 53-I.GGA.fhi GGA PBE N TM N N none Abinit
551 53i.7.hgh LDA TP N HGH N N none Abinit
702 I_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
703 I_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
912 I.psf LDA PZ N TM N N none Siesta
984 I-gga.psf GGA PBE N TM N N none Siesta
1040 I.rel-pbe-n-kjpaw.UPF GGA PBE N PAW Y Y none QE
1041 I.rel-pz-n-kjpaw.UPF LDA PZ N PAW Y Y none QE
1114 I.pbe-n-kjpaw.UPF GGA PBE N PAW Y N none QE
1115 I.pz-n-kjpaw.UPF LDA PZ N PAW Y N none QE

12 pseudopotentials found in the Virtual Vault

Return to the search form


Return to Periodic Table