Hey all,
I was calculating structure properties for a HCP lattice. I used the direct co-ordinates and i wanted to calculate the energy for a particular lattice constant and c/a ratio. I get this error "
VERY BAD NEWS! internal error in subroutine SGRCON:
Found some non-integer element in rotation matrix 3"
Any suggestions?
Direct co-ordinates for HCP lattice
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karthik112490
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lunatic
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Re: Direct co-ordinates for HCP lattice
I haven't seen this error before. Can you give some more information like your POSCAR file?