Element = Ba

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
31 Ba.pbe-nsp-van.UPF GGA PBE Y Van Y N sp QE
32 Ba.pw91-nsp-van.UPF GGA PW91 Y Van Y N sp QE
311 56ba.pspnc LDA TP N TM N N unknown Abinit
422 56-Ba.GGA-fhi GGA PBE N TM N N none Abinit
555 56ba.2.hgh LDA TP N HGH N N none Abinit
556 56ba.10.hgh LDA TP N HGH N N sp Abinit
708 Ba_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
709 Ba_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
793 ba.optlda1.fhi LDA PZ N BR N N none Abinit
845 ba.optgga1.fhi GGA PBE N BR N N none Abinit

10 pseudopotentials found in the Virtual Vault

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