[Wien] help for dstart error

Mamta Chauhan mamta.chauhan71 at gmail.com
Tue Oct 29 10:30:49 CET 2013


Dear Dr. Stefaan

Thanks for your reply.
Please find attached the struct file with this mail.

The error I got is as follows:

Commandline: *x dstart -c -c*
Program input is: *""*

forrtl: severe (24): end-of-file during read, unit 81, file
/home/gga/data/VNWC2/VNWC2.rsp

Image              PC        Routine            Line        Source


dstart             080C3F81  Unknown               Unknown  Unknown

dstart             080C3505  Unknown               Unknown  Unknown

dstart             0808C81E  Unknown               Unknown  Unknown

dstart             08068326  Unknown               Unknown  Unknown

dstart             08067FC1  Unknown               Unknown  Unknown

dstart             08073C14  Unknown               Unknown  Unknown

dstart             080539C2  Unknown               Unknown  Unknown

dstart             08052AD9  Unknown               Unknown  Unknown

dstart             08049FC5  Unknown               Unknown  Unknown

libc.so.6          0069FDE3  Unknown               Unknown  Unknown

dstart             08049F01  Unknown               Unknown  Unknown

0.003u 0.000s 0:00.00 0.0%      0+0k 0+16io 0pf+0w

error: command   /home/gga/wien2k/dstart dstart.def   failed


  Continue with

Looking forward to Your kind reply.

With thanks and regards.
Mamta



On Tue, Oct 29, 2013 at 1:34 PM, Stefaan Cottenier <
Stefaan.Cottenier at ugent.be> wrote:

> I want to run scf for WC-type structure having P-m62 space group for two
>> atoms. I generated the structure file for this structure. But when I
>> reached to  x dstart switch I got dstart error.
>>
>> Please help and suggest me the solution for this problem.
>>
>
> Including your case.struct will strongly increase your chances to get a
> useful reply.
>
> Stefaan
>
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