Element = O

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
164 O.blyp-mt.UPF GGA BLYP N TM N N none QE
165 O.blyp-van_ak.UPF GGA BLYP Y Van N N none QE
166 O.bp-van_ak.UPF GGA BP Y Van N N none QE
167 O.pbe-mt.UPF GGA PBE N TM N N none QE
168 O.pbe-rrkjus.UPF GGA PBE Y RRKJ N N none QE
169 O.pbe-van_ak.UPF GGA PBE Y Van N N none QE
170 O.pbe-van_bm.UPF GGA PBE Y Van N N none QE
171 O.pw91-van_ak.UPF GGA PW91 Y Van N N none QE
172 O.pz-mt.UPF LDA PZ N TM N N none QE
173 O.pz-rrkjus.UPF LDA PZ Y RRKJ N N none QE
174 O.pz-van_ak.UPF LDA PZ Y Van N N none QE
175 O.rel-pz-rrkjus.UPF LDA PZ Y RRKJ N Y none QE
176 O.tpss-mt.UPF GGA TPSS N TM N N none QE
267 8o.pspnc LDA TP N TM N N unknown Abinit
372 08-O.GGA.fhi GGA PBE N TM N N none Abinit
461 08o.pspgth LDA TP N GTH N N none Abinit
478 8o.6.hgh LDA TP N HGH N N none Abinit
610 O_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
611 O_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
802 o.optgga1.fhi GGA PBE N BR N N none Abinit
870 O.psf LDA PZ N TM N N none Siesta
943 O-gga.psf GGA PBE N TM N N none Siesta
1056 O.rel-pbe-n-kjpaw.UPF GGA PBE N PAW Y Y none QE
1057 O.rel-pz-n-kjpaw.UPF LDA PZ N PAW Y Y none QE
1129 O.pbe-n-kjpaw.UPF GGA PBE N PAW Y N none QE
1130 O.pz-n-kjpaw.UPF LDA PZ N PAW Y N none QE

26 pseudopotentials found in the Virtual Vault

Return to the search form


Return to Periodic Table