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Infinity in decay.epwane and a2f files 
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Joined: Sat Aug 12, 2017 7:41 am
Posts: 1
University: Uppsala University
Post Infinity in decay.epwane and a2f files
Hi,

I am getting Infinity in decay.epwane and a2f files. The system I am studying is layered graphene. EPW works fine for 3 layers, but for six layers it shows the above error.
Looks like the wannier functions are well localised as can be seen below:

Wannier Function centers (cartesian, alat) and spreads (ang):

( 0.00000 -0.00000 0.65907) : 0.98083
( -0.00000 0.00000 3.35751) : 0.98586
( -0.00000 0.57735 2.01190) : 0.98585
( -0.00000 0.57735 3.35569) : 0.98813
( 0.50000 0.28868 0.66024) : 0.98641
( 0.50000 0.28868 2.00969) : 0.98892
( 0.00000 -0.00000 4.69961) : 0.98587
( -0.00000 0.00000 7.39186) : 0.98098
( -0.00000 0.57735 6.04605) : 0.98913
( -0.00000 0.57735 7.39062) : 0.98665
( 0.50000 0.28868 4.70145) : 0.98826
( 0.50000 0.28868 6.04377) : 0.98601

I have tried the alternatives discussed in previous posts related to a similar problem. However, it didn't work out.

Any new alternatives will be highly appreciated.

Best Wishes,
Suhas


Sat Mar 16, 2019 7:32 pm
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