[Pw_forum] problems in the el-ph/phonon calculations

[Paolo Giannozzi]

On Oct 23, 2006, at 16:32 , Jia-An Yan wrote:

> The transform length (ARG NO. 9) is not an allowed value.
> The next higher allowed value is (2).

the code performs a FFT to bring force constants from reciprocal
to real space (this is why it is called "q2r"). The FFTs in IBM ESSL
libraries do not like to perform FFT with dimension 1 (or 3, or 5,...).
The simplest soultion is to copy your dynamical matrices to another
machine whose FFT's do not complain.

Paolo