It is impossible to say anything based on so little information. Error 15 in davcio means that there was a problem with unit 15. Unit 15 was used to write to file the charge density and other data for self-consistency, but this is no longer done unless explicitly required in input.
As a general rule: before running complex simulations, one should try simpler stuff. On Wed, Jul 6, 2016 at 11:41 PM, Narendranath Ghosh <ghosh.nare...@gmail.com> wrote: > Dear Sir, > > After successfully optimize a system (CNT+Fullerene) with 424 > no of carbon atoms, I am trying to get a 2 pico-second trajectory using > Andersen thermostat with “HPC USC server” > > But unfortunately all the jobs terminates with an error > > > > “davico error #15” > > > > > > Next I am trying to do this in 10 steps with 200fs run for each step. In > this circumstances what will be my input geometry for the nest steps. > > Could I use the geometry of the last step to the input for the 2nd run and > so on? > > I also not able to find the equilibrium condition in Andersen thermostat. > > > Please suggest any idea > > > > Narendra Nath Ghosh > > Research Associate > > University of Gour Banga > > Malda-732102 > > India > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum