r95222066 at ntu.edu.tw wrote: > ntyp= 3
3 atomic species > ATOMIC_SPECIES > Ca 40.08 Ca.pbe-sp-van_ak.UPF > Co2 58.9332 Co.pbe-n-van.UPF > Co3 58.9332 Co.pbe-n-van.UPF > O4 15.9994 O.pbe-rrkjus.UPF 4 atomic species > Warning: card O4 15.9994 O.PBE-RRKJUS.UPF ignored the last one is ignored > from read_cards : error # 13 > wrong index in ATOMIC_POSITIONS at the first occurrence of atomic type O4, guess what happens -- Paolo Giannozzi, Democritos and University of Udine, Italy
