[Wien] dstart error

[Antoine Villesuzanne]

Probably, the initialization generated  fe95fm95.in1 and  fe95fm95.in2 as 
input files, because your structure has inversion symmetry.

If you want to run a complex calculation, simply rename the input files with 
the appriopriate extensions, i.e.
mv fe95fm95.in2 fe95fm95.in2c
mv fe95fm95.in1 fe95fm95.in1c

Antoine Villesuzanne


----- Original Message ----- 
From: "Hong Ma" <ma at physics.unlv.edu>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, October 28, 2004 8:18 PM
Subject: [Wien] dstart error


>
> Dear wien user,
>
> When I select the option complex calculation, dstart always failed.
> The error message is:
>
> 'DSTART' - can't open unit: 15
> 'DSTART' -        filename: fe95fm95.in2c
> 'DSTART' -          status: old          form: formatted
>
> How to fix it?
>
> Thanks.
> Hong Ma
>
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