Dear Sonu Kumar
Since version 6.3 the format of .dat files has changed and they are not
compatible anymore with iotk.
If you need to have the binary files in an exportable format you could
recompile the program so that it uses the hdf5 format, see here
<http://www.quantum-espresso.org/Doc/user_guide/node11.html#SECTION00034050000000000000>
for more instructions
I hope that helps
Pietro
On 12/03/20 05:45, Sonu Kumar wrote:
Dear QE community,
I am converting *.dat files in the *save directroes using the command:
/home/code/q-e-qe-6.4.1/bin/iotk convert charge-density.dat
charge-density.xml
I am getting following error msg (I searched mailing list and found
that earlier this command works:
https://lists.quantum-espresso.org/pipermail/users/2010-February/015761.html)
iotk: using /home/code/q-e-qe-6.4.1/bin/../bin/iotk.x executable
########################################################################################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_tag_parse (iotk_misc.f90:999)
# CVS Revision: 1.39
# Wrong syntax in tag
tag=�@W;�
# ERROR IN: iotk_open_read (iotk_files.f90:639)
# CVS Revision: 1.20
########################################################################################################################
Any help will be appreciated.
**
*With kind regards,
*
*S Kumar | PhD.
*
**
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
