[Pw_forum] vc-relax

[Sergei Lisenkov]

Dear PW authors and users,

I do my calculations using "vc-relax" with Parrinello-Rahman method with diagonalization="CG". I would like to know, when my calculations will finished. I use nstep=1000. Is the code will be wait the convergence of calculations or will do all steps?

Another question. With 'vc-relax' code start calculations whith T=0 K. Is it possible to start calculations with T=300 K ?

Thanks,
Best wishes,
Sergey