Axel Kohlmeyer wrote: > PMG> Isn't the line > PMG> + atom(2:2)=capital(atm(1:1)) > PMG> somewhat redundant? Should it be "atom(1:1)=..."? > > nope. it has to be deleted.
fixed, thanks. Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
