On Jul 30, 2008, at 8:28 , sathya subramanyan wrote: > I'm doing the vc-relax calculation but it has been running for more > than 36 hours. > > forc_conv_thr = 1.0D-10 > is this the threshold used to decide when the structure is optimized? then it will take 36 days
Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
