[Wien] Deviation of elastic constants from reference values

Lyudmila Dobysheva lyuka17 at mail.ru
Tue Jan 13 07:15:16 CET 2015


On 13.01.2015 09:14, Muhammad Sajjad wrote:
> Thank you for guidance. before I was running ./*eos.job
>   ./*rhomb.job    and    ./*tetra.job.
> Now I should run simply "runsp_lapw".

No.

> On Tue, Jan 13, 2015 at 1:00 AM, Peter Blaha wrote:
>     You have to edit the scripts    eos.job ...   (last line in your
>     instructions) and select  runsp_lapw   instead of run_lapw

Edit eos.job, tetra.job and rhomb.job :
select  runsp_lapw   instead of run_lapw

Best wishes
   Lyudmila Dobysheva
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