input file for Si nanowire, running error

Total energy, geometry optimization, DFT+U, spin....

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ctwombly
Posts: 3
Joined: Sun Jun 08, 2014 9:38 pm

input file for Si nanowire, running error

Post by ctwombly » Tue Jun 10, 2014 4:49 am

Hi all,

Back again with the silicon nanowires. Strange situation, running the nanosi-band001 input file produced the following error:

hdr_check.F90:291:ERROR
fft grids must be the same for restart from a density file.
Action : change your fft grid or your restart file.
-P-0000
-P-0000 leave_new : decision taken to exit ...

hdr_check.F90:291:ERROR
fft grids must be the same for restart from a density file.
Action : change your fft grid or your restart file.

While an almost identical input file running the same calculation does not. What is causing the error and how do I fix it?
Thanks in advance for the help, it is very generous.
Chris
Attachments
nanosi-band001.in
(2.33 KiB) Downloaded 291 times
nanosiband001.log
(79.87 KiB) Downloaded 220 times
nanosi-band011.in
(1.88 KiB) Downloaded 239 times

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