On Aug 17, 2012, at 19:34 , Ruibin Liu wrote: > > How to alter the variables in SYSTEM card to get right input file?
replace "do_ee=.true." with "assume_isolated='martyna-tuckerman'" as explained in the documentation and in the examples of the latest version 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
