On Jul 5, 2012, at 14:24 , manoj narayanan wrote: > "BEWARE: shift with CC never tested !!! ". Can anyone please tell > me what it is
CC = core corrections: you are using pseudopotentials with non linear core corrections > and why it comes for the reason explained in the message itself. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
