[Wien] x lstart error when using existing structure file

[jadhikari@clarku.edu]

Hi,

Before running "x lstart" another command "instgen" is a must. It will
generate case.inst file. The alternative is opening the struct file from
structure editor of w2web and saving it, this will also generate the
case.inst file and there is no need for separate instgen command.

Subin

> Dear Users and Developlers,
>
> Recently I want to calculate a series of slightly modified structures, so
> I
> made the first session and use structgen to generate the first structure.
> After the first structure was got, I copied and saved it for futher use.
> The
> calculation for this time is totally fine.
>
> However, when later I created a new session then pasted and renamed the
> previously saved file with a slight modification of one atom position,
> during initialization, it failed at x lstart as:
>
>   SELECT XCPOT:
>   recommended: 13: GGA (Perdew-Burke-Ernzerhof 96)
>                 5: LSDA
>                11: GGA (Wu-Cohen 2006)
>   SELECT ENERGY to separate core and valence states:
>   recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
>   ERROR IN OPENING UNIT:           5
>         FILENAME:
>  s_002.inst
>     STATUS: old          FORM:formatted
> OPEN FAILED
>
> 0.000u 0.004s 0:00.01 0.0%	0+0k 0+0io 0pf+0w
>
> Could you please help me with this? Because I really don't want to use
> structgen to create the structure every time. Thanks a lot!
>
> Sincerely,
> Bo
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