[Pw_forum] Dimensions dont match

[Paolo Giannozzi]

On Jun 13, 2011, at 16:31 , swapnil chandratre wrote:

> I am trying to run berry phase calculation, the 'scf' calculation  
> works
> fine and the results converge, but the nscf calculations gives me the
> following result though I dont change the ecutwfc and the cell  
> parameters.
> What could be the error ??
>
> from read_rho_xml : error #         1
>      dimensions do not match

hard to say if you do not explain in detail what you have done. The  
error means
that the FFT dimensions of the nscf calculation do not match what is  
read from
the data file prodiced by the scf calculation.

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222