Hi...
For berry phase calculations I got the following results in the OUTCAR file. Can any one please let me know what does "c" imply here?
Berry-Phase term: <R>bp
<R> = ( -2.34705, 0.00000, 14.17450 ) electrons Angst
+( 5.44222, 0.00000, -32.86715 ) *c
Thanks in anticipation
Regards
Amritendu
<span class='smallblacktext'>[ Edited ]</span>
Berry phase
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Amritendu
Berry phase
Last edited by Amritendu on Tue Jun 24, 2008 3:14 pm, edited 1 time in total.
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admin
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Berry phase
this line is the lattice vector AIGPAR multiplied with the spin multiplicity of the bands. Please check it to remove possible unphysical contributions to the Berry phase terms caused by the periodic boundary conditions.
Last edited by admin on Tue Jun 24, 2008 8:05 pm, edited 1 time in total.
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camilo
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Berry phase
What does an 'unphysical contribution to the berry phase term' look like, in this line?
Last edited by camilo on Tue Oct 07, 2008 5:58 am, edited 1 time in total.
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admin
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Berry phase
it would be an integer multiple of the second line ( )*c included in ,.
Last edited by admin on Tue Oct 07, 2008 2:36 pm, edited 1 time in total.