Because you are setting ionic temperature but you are not giving any dynamics to ions. assign the ion_dynamics = 'verlet' or 'bfgs' (according to your choices)
Jayraj Anadani Department of physics SPU Research scholar On Mon, 26 Sep, 2022, 12:46 pm Haider Abbas, <haiderabbas...@gmail.com> wrote: > Dear all, > with the input given below > &ions > ion_dynamics='none', ion_temperature='andersen', tempw='310.D0', > nraise='reduce-T', > > I got the error > > Error in routine read_namelists (5010): > reading namelist ions > > Request you to all help me to overcome this problem. > Please let me know where is the mistake > > with regards > Haider Abbas > > _______________________________________________ > The Quantum ESPRESSO community stands by the Ukrainian > people and expresses its concerns about the devastating > effects that the Russian military offensive has on their > country and on the free and peaceful scientific, cultural, > and economic cooperation amongst peoples > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
