lto:users-boun...@lists.quantum-espresso.org>>
on behalf of Abhirup Patra
mailto:abhir...@sas.upenn.edu>>
Sent: Wednesday, July 8, 2020 6:31:02 PM
To: Quantum ESPRESSO users Forum
Subject: [QE-users] Error while using SCAN functional in hp.x
Hello,
I am trying to use the hp.x module t
--
> *From:* users on behalf of
> Abhirup Patra
> *Sent:* Wednesday, July 8, 2020 6:31:02 PM
> *To:* Quantum ESPRESSO users Forum
> *Subject:* [QE-users] Error while using SCAN functional in hp.x
>
> Hello,
>
> I am trying to use the hp.x mod
: Quantum ESPRESSO users Forum
Subject: [QE-users] Error while using SCAN functional in hp.x
Hello,
I am trying to use the hp.x module to get self-consistent U for some systems.
It works pretty well when I use PBE, however crashes with the following error
while using SCAN with libxc-4.3.4-
atom
Hello,
I am trying to use the hp.x module to get self-consistent U for some
systems. It works pretty well when I use PBE, however crashes with the
following error while using SCAN with libxc-4.3.4-
atom # 1 q point # 1 iter # 3
kpoint 1 hp_solve_linear_system: root not conv
