[Wien] dstart error

[vishal jain]

Thank you Sir,




On Tue, Jun 4, 2013 at 2:40 PM, Lyudmila Dobysheva <lyuka17 at mail.ru> wrote:

> 04.06.2013 10:25, vishal jain wrote:
>
>> I make a surface Fe(100) using Structgen, During the initilization its
>> shows following error
>> DSTART - Error
>>
>   'DSTART' - can't open unit: 15
>  'DSTART' -        filename: Fe1.in2c
>
> Dear Vishal Jain,
>
> I see that both struct files attached have inversion symmetry but the
> error is about in2c file. Maybe there occasionally appeared the
> complex-calculation mark in w2web?
> So, make the calculation with inversion: remove this mark if it exists
> in w2web, and "change session information"
>
> Best regards
>   Lyudmila Dobysheva
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