[Pw_forum] for q2r.x errors

[Paolo Giannozzi]

On Thursday 28 August 2003 20:57, ma Yanming wrote:

> [...] Unfortunately, PWSCF doesn't perform the checking function

checking that the input corresponds to what you have in mind ?
THAT would be a major achievement!!!

PWscf just checks that the input makes sense. In the forthcoming 
new version, there is an auxiliary code to calculate distances
and angles between atom. This is what I use to verify my input 
data.

Paolo