Searched for Elements with: vBCar

IDElementName

XC approx

XC Func Ultrasoft? psp class Nonlinear C orr. Relativ. SemicoreCode
105 H H.pz-vbc.UPF LDA PZ N vBCar N N none QE
104 H H.pz-vbc_150.UPF LDA PZ N vBCar N N none QE
103 H H.pz-vbc_125.UPF LDA PZ N vBCar N N none QE
91 H H.blyp-vbc.UPF GGA BLYP N vBCar N N none QE
97 H H.pbe-vbc.UPF GGA PBE N vBCar N N none QE
101 H H.pz-vbc_050.UPF LDA PZ N vBCar N N none QE
102 H H.pz-vbc_075.UPF LDA PZ N vBCar N N none QE
131 Li Li.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
33 Be Be.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
34 Be Be.star1s-pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
30 B B.pz-vbc.UPF LDA PZ N vBCar N N none QE
51 C C.pz-vbc.UPF LDA PZ N vBCar N N none QE
606 C C_VBC_LDA-1.0.xml LDA PZ N vBCar N N none Qbox
163 N N.pz-vbc.UPF LDA PZ N vBCar N N none QE
147 Na Na.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
136 Mg Mg.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
8 Al Al.pz-vbc.UPF LDA PZ N vBCar N N none QE
621 Al Al_VBC_LDA-1.0.xml LDA PZ N vBCar N N none Qbox
219 Si Si.pz-vbc.UPF LDA PZ N vBCar N N none QE
624 Si Si_VBC_LDA-1.0.xml LDA PZ N vBCar N N none Qbox
116 K K.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
41 Ca Ca.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
38 Br Br.pz-vbc.UPF LDA PZ N vBCar N N none QE
183 Pb Pb.pz-bhs.UPF LDA PZ N vBCar N N none QE

24 pseudopotentials found in the Virtual Vault

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