rf1 lesson
Posted: 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
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