[Wien] Problem in scf launching !!

Lyudmila Dobysheva lyuka17 at mail.ru
Tue Nov 17 11:37:34 CET 2015


16.11.2015 19:35, Brahim Abraime wrote:
> *Thank you for your answer, but the errors file is empty!!**

Well, look in other output files of lstart. Make in terminal
x lstart
and see the output in terminal.
Maybe the error came during nn program, so check this also.

By the way, I didn't notice at once that you executed dstartpara. Why?

In general: make a fresh directory and repeat the procedure of 
initialization with _great_ attention to all outputs.

Best wishes
Lyudmila Dobysheva

>  > 16.11.2015 14:25, Brahim Abraime wrote:
>  > > *running dstart in single mode
>  > > forrtl: severe (24): end-of-file during read, unit 81, file
> /home/user/WIEN2k/hexa.rsp*
>  > > *0.0u 0.0s 0:00.05 40.0% 0+0k 0+40io 0pf+0w
>  > > error: command /home/user/wien2k/dstartpara dstart.def failed
>  > > n stop error n*
>  >
>  > Files case.rsp, case.rspup, and case.rspdn should be prepared at a
>  > previous stage of initialization by program lstart.
>  >
>  > Try and find what had gone wrong. Look through error files.

Lyudmila Dobysheva
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