Search found 2 matches

by iaizo
Mon May 03, 2021 8:18 am
Forum: GW
Topic: Gap values not written
Replies: 2
Views: 1328

Re: Gap values not written

Hi. i Had the same problem. If you are specifying the bandgap in bdgw, lets say bdgw 4 5, change it to something like

bdgw 3 6 or bdgw 2 7. got the gap values after doing this
by iaizo
Sat May 01, 2021 1:40 am
Forum: GW
Topic: Trying to obtain gamma bandgap of CsSnI3
Replies: 0
Views: 22

Trying to obtain gamma bandgap of CsSnI3

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