The ABINIT Users Mailing List ( CLOSED )

[Fabien Bruneval <fabien.bruneval@cea.fr>]

In addition to Conor's comment, there seems to be a problem with the structure...

    symrel    1  0  0   0  1  0   0  0  1       1  0  0   0 -1  0   0  0 -1
     tnons    0.0000000  0.0000000  0.0000000    -0.0000000  0.0000029  0.0000047

The translations are *extremely* weird.


Fabien







On 10/30/2009 04:45 PM, Dev Sharma wrote:

600f50560910300845m774b1506x6c8393bc8fa2af70@mail.gmail.com" type="cite">

hi Fabien Bruneval,

Sorry. Actually, my gmail was showing error that your mssg was not sent, every time.
Thats  why, by mistake, i have sent it many times.
Sorry for that again.

I have attached my log and out files here. here I have decreased the ecut and tolwfr here , but tried it with larger values also.
Please have a look on the output files.

Thanks
with regards
Dev
University of Delhi, India