[Wannier] How to raise G0W0 level to GW0 level in yambo & the 'out of meory' problem

[zhangkan3 at mail.sysu.edu.cn]

Thanks a lot! This is great.

And here I have another question that when running yambo to calculating the QP energies, 'out of memory' always causes the task terminated. Now our computational environment is 128G per nod with 24 cores. My previous system has three atoms and I used one and two nods for this calculation successively. I have uploaded the log files to the attachment. Any solution for this?

All best

Kan Zhang



-----原始邮件-----
发件人:"Christoph Wolf" <wolf.christoph at qns.science>
发送时间:2020-04-16 17:41:37 (星期四)
收件人: zhangkan3 at mail.sysu.edu.cn
抄送:
主题: Re: [Wannier] How to raise G0W0 level to GW0 level in yambo


Takes a bit of copy and pasting but works well in my experience 


https://www.attaccalite.com/self-consistent-gw-on-eigenvalues-with-the-yambo-code/



Hth!


On Thu, Apr 16, 2020, 6:24 PM <zhangkan3 at mail.sysu.edu.cn> wrote:


Dear experts,

I am still doing GW calculation for band structure by following the example 23 in tutorials. Considering my system, I wonder that if there are any set to change to GWO level when calculating the QP energies in yambo? I read a little on yambo-code wiki, but get no idea on it.

Sincerely,

Kan Zhang




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