- #1
Falaye75
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Silicon Band Structure for both ibrav 0 and ibrav 2
I did scf and bands for silicon using both ibrav=0 and ibrav 2
After running the two bands separately I noticed that the band structures for the two (ibrav 0 and ibrav 2) were totally difference but in literature i read that the two (both ibrav 0 and ibrav 2) should give the same result. For Ibrav 2 band structure gave correct stucture while ibrav 0 gave wrong structure. Please what should i do to ensure that the two band structures are the same. Thanks in anticipation
I did scf and bands for silicon using both ibrav=0 and ibrav 2
After running the two bands separately I noticed that the band structures for the two (ibrav 0 and ibrav 2) were totally difference but in literature i read that the two (both ibrav 0 and ibrav 2) should give the same result. For Ibrav 2 band structure gave correct stucture while ibrav 0 gave wrong structure. Please what should i do to ensure that the two band structures are the same. Thanks in anticipation