rf1 lesson

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

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bmalvandi
Posts: 21
Joined: Sat Feb 20, 2010 1:42 pm

rf1 lesson

Post by bmalvandi » Mon May 31, 2010 10:32 am

hello
I ran the 6th lesson of rf1 and after 4 days running an error occurs!
The error is:

hdr_check: WARNING -
Restart of self-consistent calculation need translated wavefunctions.
Indeed, critical differences between current calculation and
restart file have been detected in:
* the number, position, or weight of k-points
* the format of wavefunctions (istwfk)
================================================================================

inwffil: ERROR
The file tmrf1_xo_DS4_WFQ cannot be used to start the
present calculation. It was asked that the wavefunctions be accurate, but
at least one of the k points could not be generated from a symmetrical one.
dksqmax= 4.795850E-05
Action: check your wf file and k point input variables.

leave_new : decision taken to exit ...
1


I don't know what must I do and what the error said?
please help me
thanks

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