[Pw_forum] pw.x not able to specity initial ion velocities

Tim Teatro timtro at gmail.com
Wed Aug 23 17:59:50 CEST 2006

Hello all.

This is probably an easy one. I'm sorry to bother you with it.

When I try to specify starting velocities for ions in a pw.x input file
(obviously for dynamics), I set ion_velocities = 'from_input' and specify an
ATOMIC_VELOCITIES card. When it runs, I get a warning that a card is
ignored. The ignored card is (for whatever reason) the last entry in my
ATOMIC_VELOCITIES card ( Species(n)   Vx(n)  Vy(n)   Vz(n) ), and the
temperature calculated at the end of the first step certainly does not
reflect the temperature that the system should have given the velocities I

I looked in the source code, and according to read_cards.f90, the program
should hit the velocity card and read of the next nat lines, so I have no
idea why it would try to read off my last velocity entry as a card. There
also doesn't seem to be any comments that this bit of code is restricted to
cp.x or something. But is it?

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