Element = H

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
90 H.blyp-van_ak.UPF GGA BLYP Y Van N N none QE
91 H.blyp-vbc.UPF GGA BLYP N vBCar N N none QE
92 H.bp-van_ak.UPF GGA BP Y Van N N none QE
95 H.pbe-rrkjus.UPF GGA PBE Y RRKJ N N none QE
96 H.pbe-van_ak.UPF GGA PBE Y Van N N none QE
97 H.pbe-vbc.UPF GGA PBE N vBCar N N none QE
98 H.pw91-van_ak.UPF GGA PW91 Y Van N N none QE
99 H.pz-rrkjus.UPF LDA PZ Y RRKJ N N none QE
100 H.pz-van_ak.UPF LDA PZ Y Van N N none QE
101 H.pz-vbc_050.UPF LDA PZ N vBCar N N none QE
102 H.pz-vbc_075.UPF LDA PZ N vBCar N N none QE
103 H.pz-vbc_125.UPF LDA PZ N vBCar N N none QE
104 H.pz-vbc_150.UPF LDA PZ N vBCar N N none QE
105 H.pz-vbc.UPF LDA PZ N vBCar N N none QE
106 H.tpss-mt.UPF GGA TPSS N TM N N none QE
260 1h.pspnc LDA TP N TM N N unknown Abinit
365 01-H.GGA.fhi GGA PBE N TM N N none Abinit
455 01h.pspgth LDA TP N GTH N N none Abinit
469 1h.1.hgh LDA TP N HGH N N none Abinit
594 H_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
595 H_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
798 h.optgga1.fhi GGA PBE N BR N N none Abinit
863 H.psf LDA PZ N TM N N none Siesta
936 H-gga.psf GGA PBE N TM N N none Siesta
1034 H.rel-pbe-kjpaw.UPF GGA PBE N PAW N Y none QE
1035 H.rel-pz-kjpaw.UPF LDA PZ N PAW N Y none QE
1108 H.pbe-kjpaw.UPF GGA PBE N PAW N N none QE
1109 H.pz-kjpaw.UPF LDA PZ N PAW N N none QE

28 pseudopotentials found in the Virtual Vault

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