On Tue, 2013-06-11 at 23:09 -0700, Mohsen Modaresi wrote: > Is there any way to turn-off the XC in this code? try input_dft='nox-noc' P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222