[Wien] Deviation of elastic constants from reference values

Lyudmila Dobysheva lyuka17 at mail.ru
Mon Jan 12 12:14:21 CET 2015


On 12.01.2015 15:00, Muhammad Sajjad wrote:
> 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
>  >   stop error
> ERROR status in eos___0.0

I think that program is mixing spin-polarized and non-spin-polarized 
cases here. Start from a fresh directory. And if something is wrong 
check case.error files

Best wishes
   Lyudmila Dobysheva
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