[Wien] dstart error

[Gavin Abo]

This is probably because you are using w2web, always make sure that the 
complex calculation box is not checked before you do the initialize 
calc. steps.  During the initialize calc. steps, the program will 
generate case.in2 (non-complex) or case.in2c (complex).  If it generates 
case.in2c, it will automatically check the complex calculation box.  
However, if the complex calculation box is checked before, it can fail 
with the error you are seeing because it generated case.in2, but you are 
trying to force it to use a case.in2c that does not exist.

On 1/18/2014 2:01 AM, bruce.tian wrote:
> Dear all:
> I tried to calculate the sample TiC in the userguide to verify the 
> Wien2k_13. However there is always the error in the step dstart like 
> the following:
>
> Error in DSTART
>  'DSTART' - can't open unit: 15
>  'DSTART' -        filename: TiC.in2c
>  'DSTART' -          status: old          form: formatted
>
> what the problem? Single atom works well but it seems dual atoms have 
> the the same problem, such as TiN.
>
> Thanks for your help!
>
> best regards