[Pw_forum] q2r.x for bigger systems

[Stefano de Gironcoli]

Vasile Chis wrote:

> Hi again,
>
> The gamma dynamical matrix is calculated, which I call "dyn1.dyn".
>
> The error message I get is:
>
> - 1525-006 The STATUS= specifier in the OPEN statement for unit 1 
> cannot be set to OLD because
> - the file  aldyn1.dyn does not exist.  The program will stop.
>
> But, the file does so exist.


check your input file. or write it again from scratch.
If the code want to open aldyn1.dyn is becouse you tell it to do so....
You may have inserted strange control character in your input.

>
> I have edited the q2r.f as I said last time and also changed,
> for q(3,48) to q(3,57) and so on for all that which needed to be changed.

Why did you so ?
I doubt you should need that .

Stefano de Gironcoli