Element = Ru

IDName

XC approx

XC Func Ultrasoft? psp class Nonlinear Corr. Relativ. SemicoreCode
205 Ru.pbe-n-van.UPF GGA PBE Y Van Y N none QE
206 Ru.pw91-n-van.UPF GGA PW91 Y Van Y N none QE
300 44ru.pspnc LDA TP N TM N N unknown Abinit
409 44-Ru.GGA.fhi GGA PBE N TM N N none Abinit
536 44ru.8.hgh LDA TP N HGH N N none Abinit
537 44ru.16.hgh LDA TP N HGH N N sp Abinit
684 Ru_HSCV_LDA-1.0.xml LDA PZ N HSCV N N none Qbox
685 Ru_HSCV_PBE-1.0.xml GGA PBE N HSCV N N none Qbox
831 ru.optgga1.fhi GGA PBE N BR N N none Abinit
832 ru.optgga2.fhi GGA PBE N BR N N none Abinit
833 ru.optgga3.fhi GGA PBE N BR N N none Abinit
903 Ru.psf LDA PZ N TM N N none Siesta
977 Ru-gga.psf GGA PBE N TM N N none Siesta

13 pseudopotentials found in the Virtual Vault

Return to the search form


Return to Periodic Table