the GW energy band gap

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aria
Posts: 11
Joined: Fri Mar 10, 2017 5:14 am

the GW energy band gap

Post by aria » Wed May 30, 2018 7:46 pm

Hello,
For calculating the quasi-particle energy band gap in GW approximation, I used As.psp8(with 15) and In.psp8(with 13) with tgw1_9.in input file attached. But, I couldn't reach the energy band gap. What is wrong wit that?
Thank you,
Attachments
tgw1_9.in
(4.93 KiB) Downloaded 123 times
tgw1_9.out
(370 Bytes) Downloaded 124 times

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