Element = Cu

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
66 Cu.blyp-n-van_ak.UPF GGA BLYP Y Van Y N none QE
67 Cu.pbe-d-rrkjus.UPF GGA PBE Y RRKJ N N d QE
68 Cu.pbe-n-van_ak.UPF GGA PBE Y Van Y N none QE
69 Cu.pw91-n-van_ak.UPF GGA PW91 Y Van Y N none QE
70 Cu.pz-d-rrkjus.UPF LDA PZ Y RRKJ N N d QE
71 Cu.pz-n-van_ak.UPF LDA PZ Y Van Y N none QE
286 29cu.pspnc LDA TP N TM N N unknown Abinit
393 29-Cu.GGA.fhi GGA PBE N TM N N none Abinit
511 29cu.1.hgh LDA TP N HGH N N none Abinit
512 29cu.11.hgh LDA TP N HGH N N d Abinit
654 Cu_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
655 Cu_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
820 cu.optgga1.fhi GGA PBE N BR N N none Abinit
821 cu.optgga2.fhi GGA PBE N BR N N none Abinit
822 cu.optgga3.fhi GGA PBE N BR N N none Abinit
891 Cu.psf LDA PZ N TM N N none Siesta
964 Cu-gga.psf GGA PBE N TM N N none Siesta
1024 Cu.rel-pbe-dn-kjpaw.UPF GGA PBE N PAW Y Y d QE
1025 Cu.rel-pz-dn-kjpaw.UPF LDA PZ N PAW Y Y d QE
1100 Cu.pbe-dn-kjpaw.UPF GGA PBE N PAW Y N d QE
1101 Cu.pz-dn-kjpaw.UPF LDA PZ N PAW Y N d QE

21 pseudopotentials found in the Virtual Vault

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