Element = Na

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
139 Na.blyp-sp-van_ak.UPF GGA BLYP Y Van N N sp QE
140 Na.bp-sp-van_ak.UPF GGA BP Y Van N N sp QE
141 Na.pbe-n-mt_bw.UPF GGA PBE N TM Y N none QE
142 Na.pbe-n-van_ak.UPF GGA PBE Y Van Y N none QE
143 Na.pbe-sp-van_ak.UPF GGA PBE Y Van N N sp QE
144 Na.pw91-n-mt.UPF GGA PW91 N TM Y N none QE
145 Na.pw91-n-van.UPF GGA PW91 Y Van Y N none QE
146 Na.pw91-sp-van_ak.UPF GGA PW91 Y Van N N sp QE
147 Na.pz-n-vbc.UPF LDA PZ N vBCar Y N none QE
148 Na.pz-sp-van_ak.UPF LDA PZ Y Van N N sp QE
270 11na.pspnc LDA TP N TM N N unknown Abinit
375 11-Na.GGA.fhi GGA PBE N TM N N none Abinit
463 11na.pspgth LDA TP N GTH N N none Abinit
481 11na.1.hgh LDA TP N HGH N N none Abinit
482 11na.9.hgh LDA TP N HGH N N sp Abinit
616 Na_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
617 Na_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
873 Na.psf LDA PZ N TM N N none Siesta
946 Na-gga.psf GGA PBE N TM N N none Siesta
1052 Na.rel-pbe-spn-kjpaw.UPF GGA PBE N PAW Y Y sp QE
1053 Na.rel-pz-spn-kjpaw.UPF LDA PZ N PAW Y Y sp QE
1126 Na.pbe-spn-kjpaw.UPF GGA PBE N PAW Y N sp QE

22 pseudopotentials found in the Virtual Vault

Return to the search form


Return to Periodic Table