Element = Al

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
3 Al.blyp-n-van_ak.UPF GGA BLYP Y Van Y N none QE
4 Al.bp-n-van_ak.UPF GGA BP Y Van Y N none QE
5 Al.pbe-n-van.UPF GGA PBE Y Van Y N none QE
6 Al.pbe-rrkj.UPF GGA PBE N RRKJ N N none QE
7 Al.pw91-n-van.UPF GGA PW91 Y Van Y N none QE
8 Al.pz-vbc.UPF LDA PZ N vBCar N N none QE
9 Al.pz-rrkj.UPF LDA PZ N RRKJ N N none QE
272 13al.pspnc LDA TP N TM N N unknown Abinit
377 13-Al.GGA.fhi GGA PBE N TM N N none Abinit
465 13al.pspgth LDA TP N GTH N N none Abinit
485 13al.3.hgh LDA TP N HGH N N none Abinit
620 Al_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
621 Al_VBC_LDA-1.0.xml LDA PZ N vBCar N N none Qbox
622 Al_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
805 al.optgga1.fhi GGA PBE N BR N N none Abinit
875 Al.psf LDA PZ N TM N N none Siesta
948 Al-gga.psf GGA PBE N TM N N none Siesta
1082 Al.pbe-n-kjpaw.UPF GGA PBE N PAW Y N none QE
1083 Al.pz-n-kjpaw.UPF LDA PZ N PAW Y N none QE

19 pseudopotentials found in the Virtual Vault

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