On Sep 4, 2011, at 11:00 , Sanjay D. Gupta wrote: > celldm(4) = ?0.029264993, > celldm(5) = ?0.043078844,
the "minus" sign in front of the numbers is not a minus, it is a dash. Compare with the correct character: > celldm(4) = -0.029264993, > celldm(5) = -0.043078844, 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
