[Pw_forum] A question about LDA+U calculation aobut Vanadium ?

r95222066 at ntu.edu.tw r95222066 at ntu.edu.tw
Fri Dec 28 10:57:59 CET 2007

Dear all,
       I would like to ask a question about the question i encounter  
.I calculated the transition metal element Vanadium "V" about LDA+U  
calculation ,the scf output file show
from tabd : error #         1
      pseudopotential not yet inserted
I check the pwscf forum ,it suggest me to correct the  tabd.f90 file  
in PW.x code , so I would like to ask what is the "occ_loc" number for  
Vanadium "V" ?

Thanks a lot
              Bing-hong Chen
                        Physics department,National Taiwan Unverisity,Taiwan

More information about the users mailing list