[Pw_forum] pw.x does not work

Paolo Giannozzi giannozz at democritos.it
Mon Sep 17 11:17:26 CEST 2012


On Mon, 2012-09-17 at 10:56 +0200, Pablo García Risueño wrote:

> I also tried with calculation='scf' in the control block (I think
>  it is actually default)

it is

> but the result is the same (actually I think I am running the version 2.1.4)

released 2005-06-17 ... anyway: it compiles and work, at least for the
first case you sent (simple Si). Unless, of course, it is a locally
modified version, as some additional lines in the output seem to
indicate,

P.
---

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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