Element = S

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
207 S.blyp-mt.UPF GGA BLYP N TM N N none QE
208 S.blyp-van_ak.UPF GGA BLYP Y Van N N none QE
209 S.bp-van_ak.UPF GGA BP Y Van N N none QE
223 S.pbe-van_bm.UPF GGA PBE Y Van N N none QE
224 S.pw91-n-mt.UPF GGA PW91 N TM Y N none QE
225 S.pw91-van_ak.UPF GGA PW91 Y Van N N none QE
226 S.pz-bhs.UPF LDA PZ N BHS N N none QE
227 S.pz-van_ak.UPF LDA PZ Y Van N N none QE
275 16s.pspnc LDA TP N TM N N unknown Abinit
468 16s.pspgth LDA TP N GTH N N none Abinit
488 16s.6.hgh LDA TP N HGH N N none Abinit
628 S_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
629 S_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
878 S.psf LDA PZ N TM N N none Siesta
951 S-gga.psf GGA PBE N TM N N none Siesta
1068 S.rel-pbe-n-kjpaw.UPF GGA PBE N PAW Y Y none QE
1069 S.rel-pz-n-kjpaw.UPF LDA PZ N PAW Y Y none QE
1141 S.pbe-n-kjpaw.UPF GGA PBE N PAW Y N none QE
1142 S.pz-n-kjpaw.UPF LDA PZ N PAW Y N none QE

19 pseudopotentials found in the Virtual Vault

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