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Berry phase

Posted: Tue Jun 24, 2008 3:14 pm
by Amritendu
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

Posted: Tue Jun 24, 2008 8:05 pm
by admin
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.

Berry phase

Posted: Tue Oct 07, 2008 5:58 am
by camilo
What does an 'unphysical contribution to the berry phase term' look like, in this line?

Berry phase

Posted: Tue Oct 07, 2008 2:36 pm
by admin
it would be an integer multiple of the second line ( )*c included in ,.