[Wien] SCF stoped at the first lapw1

[Lyudmila Dobysheva]

On Sat, 8 Nov 2003, Bing Zhou wrote:

> The calculations for my supercell stoped at the first lapw1 with the
> following message:

>  Location:  the READ statement at line 133 of "atpar.f"
>  Unit:  5
>  File:  kaolinite3_super.in1c

The subroutine "atpar.f" of the program lapw1 has at the line 133:
         READ (5,*,err=41) EI, NLR,iapw
so something wrong is written in your file kaolinite3_super.in1c.
If you send this file (and the struct file is also desirable) we could
look at it and help you.

Best wishes
  Lyudmila Dobysheva 
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