[Wien] Deviation of elastic constants from reference values

Stefaan Cottenier stefaan.cottenier at ugent.be
Mon Jan 12 12:03:51 CET 2015



> Right . when I select the spin i found error in the start (eos___0.0
> DSTART ENDS
> 1.264u 0.008s 0:01.27 99.2%0+0k 0+200io 0pf+0w
>   LAPW0 END
> LAPW1 - Error

You probably tried a spin-polarized calculation in the same folder where 
you ran a non-spin-polarized one before. Don't do that, reinitialize 
from scratch in a new clean folder.

Stefaan


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