0 0.
0 0 1 0.7500
8
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Without being more specific, it is impossible to help you.
What is the error message (in the standard output or in the error file)?
On Mon, 7 May 2012, AJAY SINGH VERMA wrote:
>
> respected users,
> the scf cycle terminates itself after 5th iteration leaving LAPW2 file error
> below is my .str
Please provide more information:
* What RKMAX
* What k-points
* What case.in1c
* What error in LAPW2 (QTL-B?)
On Mon, May 7, 2012 at 6:21 AM, AJAY SINGH VERMA
wrote:
> respected users,
> the scf cycle terminates itself after 5th iteration leaving LAPW2 file error
> below is my .struct file..Plz
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