[Q-e-developers] Fwd: [Pw_forum] Error with berry phase

[Paolo Giannozzi]

May I remind everybody that the compatibility with previous
versions of the data file should be maintained unless it is really
needed to break it ? When new fields are added to the data file,
the code should know what to do if those new fields are missing

P.

> From: swapnil chandratre <swapnil.chandratre at gmail.com>
> Date: June 2, 2011 8:17:45  GMT+02:00
> To: PWSCF Forum <pw_forum at pwscf.org>
> Subject: [Pw_forum] Error with berry phase
> Reply-To: PWSCF Forum <pw_forum at pwscf.org>
>
> Hi,
>
> I receive the following error, when I run the nscf script after  
> completing the scf run.
>
> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=-1)
> # ERROR IN: iotk_scan_dat (iotk_dat.spp:1002)
> # CVS Revision: 1.27
> # Dat not found
> name=NON-PERIODIC_CELL_CORRECTION

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