The files are placed at the following URL: www.sissa.it/~sclauzer/pw/COatPtwire7Pt_rel.scf.d www.sissa.it/~sclauzer/pw/COatPtwire7Pt_rel.scf.out
Gabriele Paolo Giannozzi wrote: > On Friday 07 July 2006 11:16, Gabriele Sclauzero wrote: > > >> from bfgs : error # 1 >> bfgs history already reset at previous step > > >>If the problem has not already been noticed > > > it hasn't > > >>and someone is aiming to trace and solve it, >>I will send him/her the input and output of that run. > > > please do. The mailing list has a 40Kb size limit, > so it is preferrable to put the needed files on a web > site and send the URL > > Paolo
