[Wien] Error in init_lapw

Lyudmila Dobysheva lyuka17 at mail.ru
Tue Sep 22 11:15:37 CEST 2015


I am afraid nobody can answer you as there are no information and the 
message is unclear:
22.09.2015 10:12, Paresh Chandra Rout wrote:
> I am facing a warning message while setting nn-bondlength  as follows
> nn(12:18:17)  specify nn-bondlength factor: ...
> 2
> WARNING: Mult not equal. PLEASE CHECK outputnn-file

Struct file is wrong you should change it.

> NN created a new Bi2FeReO6_G-type.struct_nn file .
> But when I use Old case.struct file

What is "Old case.struct file"?

> I am able to enter into the next
> step . But when I accept to use the new case.struct case

What is "new case.struct file"?

> it is just get
> stuck there giving the error message as follows
>   forrtl: severe (174): SIGSEGV, segmentation fault occurred
...
>   I am proceeding with the old case.struct file.

What is "old case.struct file"?

> Is there any problem
> if I use old case.struct file for the calculation ?

Almost certainly yes, but nobody knows exactly.

> If yes kindly give
> me some direction  to resolve the above problem .

Try and write a letter with more info.

Best wishes
   Lyudmila Dobysheva
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