Element = Cl

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
55 Cl.blyp-mt.UPF GGA BLYP N TM N N none QE
56 Cl.pbe-n-van.UPF GGA PBE Y Van Y N none QE
57 Cl.pw91-mt.UPF GGA PW91 N TM N N none QE
58 Cl.pz-bhs.UPF LDA PZ N BHS N N none QE
276 17cl.pspnc LDA TP N TM N N unknown Abinit
381 17-Cl.GGA.fhi GGA PBE N TM N N none Abinit
489 17cl.7.hgh LDA TP N HGH N N none Abinit
630 Cl_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
631 Cl_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
879 Cl.psf LDA PZ N TM N N none Siesta
952 Cl-gga.psf GGA PBE N TM N N none Siesta
1022 Cl.rel-pbe-n-kjpaw.UPF GGA PBE N PAW Y Y none QE
1023 Cl.rel-pz-n-kjpaw.UPF LDA PZ N PAW Y Y none QE
1098 Cl.pbe-n-kjpaw.UPF GGA PBE N PAW Y N none QE
1099 Cl.pz-n-kjpaw.UPF LDA PZ N PAW Y N none QE

15 pseudopotentials found in the Virtual Vault

Return to the search form


Return to Periodic Table