[Pw_forum] nstep not honored in vc-md

[Steve Schmerler]

Hello

I'm using QE for a while now and I'm quite happy with it. Thank you for
working on this.

I'm trying some basic variable cell MD (pw.x, vc-md) and I found that
the code does not stop after 'nstep' steps with cell_dynamics='w' or
'pr', while it does so with normal 'md' and 'vc-relax'
(cell_dynamics='damp-w'). This is with 4.2.1 and 4.1.2 . 

Attached are input (pw.in) and output (pw.out, killed after 9 steps,
nstep=3 in pw.in). "nstep=3" is mentioned correctly in the output,
though.

Thank you for your help.

best,
Steve

-- 
Steve Schmerler
Institut für Theoretische Physik
TU Bergakademie Freiberg
Leipziger Str. 23, 09599 Freiberg, Germany
Tel: +49 (0)3731 392797
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