On Dec 6, 2011, at 2:49 , Lily Anh wrote: > I added the following lines in the &ions section: > > ntcheck=100, ! temperature is checked every ntcheck > timesteps > ntimes=10 ! maximum number of velocity rescaling > > and the calculation crashes " from read_namelists : error > # 88
you need to modify the code, not input data 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
