[Pw_forum] Error in nscf calculation.
robert.guzman
guzmanar at cab.cnea.gov.ar
Sat Jan 24 06:11:35 CET 2015
Dear Users
I am using espresso-5.1 to calculate the projected density of states.
Firstly in my system I need a nscf calculation to calculate 452 k
points. But when the nscf calculation has been finished appears a error
in the terminal:
# 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
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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