Element = Li

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
121 Li.blyp-s-mt.UPF GGA BLYP N TM N N s QE
122 Li.blyp-s-van_ak.UPF GGA BLYP Y Van N N s QE
123 Li.bp-s-mt.UPF GGA BP N TM N N s QE
124 Li.bp-s-van_ak.UPF GGA BP Y Van N N s QE
125 Li.pbe-n-van.UPF GGA PBE Y Van Y N none QE
126 Li.pbe-s-mt.UPF GGA PBE N TM N N s QE
127 Li.pbe-s-van_ak.UPF GGA PBE Y Van N N s QE
128 Li.pw91-n-van.UPF GGA PW91 Y Van Y N none QE
129 Li.pw91-s-mt.UPF GGA PW91 N TM N N s QE
130 Li.pw91-s-van_ak.UPF GGA PW91 Y Van N N s QE
131 Li.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
132 Li.pz-s-mt.UPF LDA PZ N TM N N s QE
133 Li.pz-s-van_ak.UPF LDA PZ Y Van N N s QE
262 3Li.pspnc LDA TP N TM N N unknown Abinit
367 03-Li.GGA.fhi GGA PBE N TM N N none Abinit
456 03li.pspgth LDA TP N GTH N N none Abinit
471 3li.1.hgh LDA TP N HGH N N none Abinit
472 3li.3.hgh LDA TP N HGH N N s Abinit
598 Li_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
599 Li_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
600 Li_TM_s_PBE-1.0.xml GGA PBE N TM N N s Qbox
865 Li.psf LDA PZ N TM N N none Siesta
938 Li-gga.psf GGA PBE N TM N N none Siesta
1046 Li.rel-pbe-s-kjpaw.UPF GGA PBE N PAW N Y s QE
1047 Li.rel-pz-s-kjpaw.UPF LDA PZ N PAW N Y s QE
1120 Li.pbe-s-kjpaw.UPF GGA PBE N PAW N N s QE
1121 Li.pz-s-kjpaw.UPF LDA PZ N PAW N N s QE

27 pseudopotentials found in the Virtual Vault

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