[Wien] Mixer error: NEC01 charge leakage too large

Lyudmila Dobysheva lyuka17 at mail.ru
Wed Nov 3 13:30:46 CET 2021


03.11.2021 03:43, ChenJie wrote:
> I read from the manual that this issue could be caused by improper 
> setting of RMT, or the energy to separate core from valence states

The third reason is often encountered: wrong lattice parameters if 
Angstroms and a.u. are confused.

Best wishes
-- 
Lyudmila Dobysheva
------------------
http://ftiudm.ru/content/view/25/103/lang,english/
Institute of Physics and Technology,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
---
Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home)
Skype: lyuka18 (office), lyuka17 (home)
E-mail: lyuka17 at mail.ru (office), lyuka17 at gmail.com (home)


More information about the Wien mailing list