[Pw_forum] Error in nscf calculation.

[Paolo Giannozzi]

On Sat, 2015-01-24 at 02:11 -0300, robert.guzman wrote:

> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=1)
> # ERROR IN: iotk_write_dat (iotk_dat+COMPLEX2_0.f90:1013)
> # CVS Revision: 1.27

almost invariably, iotk errors that do not have an obvious
explanation are due to compilers that do not compile iotk
properly.

P.

> And when I try to calculate the projected density of states, inside of 
> the output file was written:
> 
> Error in routine pw_readfile (1):
> error reading header of xml data file
> 
> Thus the projected density of states had not been calculated.
> 
> Please, Where is my error?
> 
> Thanks!
> 
> R.M. Guzman Arellano
> Instituto Balseiro.
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