Hi Asha, > ATOMIC_SPECIES > Mn 54.94?? Mn.pbe-sp-van.UPF > Ce 140.116??Ce_lda_sc.UPF > O??16.00????O.pz-rrkjus.UPF
> > Is there some problem with pseudopotential file?? yes.You must have the same pseudopotential file.Like they are all pbe or pw or others.
