Re: [QE-users] Linewidths

2025-08-22 Thread Annam, Roshan Sameer
@lists.quantum-espresso.org Subject: Re: [QE-users] Linewidths Hello, I'm not 100% sure what was the state of the code in the 7. 1 release of QE, maybe you had to enable the option with a specific flag, and I cannot check now as I don't have access to my desktop PC where I have a pre-compil

Re: [QE-users] Linewidths

2025-08-22 Thread Lorenzo Paulatto
ool of Aerospace and Mechanical Engineering University of Oklahoma *From:* users on behalf of Lorenzo Paulatto *Sent:* Wednesday, August 20, 2025 10:38:13 AM *To:* users@lists.quantum-espresso.org *Subject:* Re: [QE-users] Line

Re: [QE-users] Linewidths

2025-08-20 Thread Annam, Roshan Sameer
Engineering University of Oklahoma From: users on behalf of Lorenzo Paulatto Sent: Wednesday, August 20, 2025 10:38:13 AM To: users@lists.quantum-espresso.org Subject: Re: [QE-users] Linewidths Thank you for letting me know, I've not reviewed the doc in a

Re: [QE-users] Linewidths

2025-08-20 Thread Lorenzo Paulatto
ahoma *From:* users on behalf of Lorenzo Paulatto *Sent:* Tuesday, August 19, 2025 2:25:48 AM *To:* users@lists.quantum-espresso.org *Subject:* Re: [QE-users] Linewidths I was wondering if anyone can help me understand if the linew

Re: [QE-users] Linewidths

2025-08-19 Thread Annam, Roshan Sameer
From: users on behalf of Lorenzo Paulatto Sent: Tuesday, August 19, 2025 2:25:48 AM To: users@lists.quantum-espresso.org Subject: Re: [QE-users] Linewidths I was wondering if anyone can help me understand if the linewidths computed this way represents full width half

Re: [QE-users] Linewidths

2025-08-19 Thread Lorenzo Paulatto
I was wondering if anyone can help me understand if the linewidths computed this way represents full width half maximums or half width half maximums. Hello, they are the imaginary part of the self energy, i.e. half-width half-maximum. The lifetime is tau=1/(2 lw) kind regards. Your he

[QE-users] Linewidths

2025-08-18 Thread Annam, Roshan Sameer
Hello everyone, I have a question regarding linewidths. Currently I am computing linewidths using store_lw parameter in my d3_tk.x calculations input file. I was wondering if anyone can help me understand if the linewidths computed this way represents full width half maximums or half width hal