Trying to obtain gamma bandgap of CsSnI3

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iaizo
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Joined: Thu Apr 22, 2021 9:19 pm

Trying to obtain gamma bandgap of CsSnI3

Post by iaizo » Sat May 01, 2021 1:40 am

Hi.
I'm trying to get the gw bandgap of CsSnI3 at gamma. But my run of abinit stops just before the iteration cycles. If you know what is the issue here, please help me out. The input and output files are attached to this post.

Thank you
Attachments
tgw1_1.in
(5.19 KiB) Downloaded 126 times
tgw1_1.out
(18.02 KiB) Downloaded 113 times

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