>>
>>
>> Greetings,
>>
>> Iurii
>>
>>
>> --
>> Dr. Iurii TIMROV
>> Senior Research Scientist
>> Theory and Simulation of Materials (THEOS)
>> Swiss Federal Institute of Technology Lausanne (EPFL)
>> CH-1015 Lausanne, Sw
of Corina Urdaniz
Sent: Wednesday, June 8, 2022 5:24:24 AM
To: users@lists.quantum-espresso.org<mailto:users@lists.quantum-espresso.org>
Subject: [QE-users] problems with DFT+U+V (No atom equivalent to r2 error)
Dear All, i'm new in QE, i running DFT+U+V in simple system (see in
ation of Materials (THEOS)
> Swiss Federal Institute of Technology Lausanne (EPFL)
> CH-1015 Lausanne, Switzerland
> +41 21 69 34 881
> http://people.epfl.ch/265334
> ------
> *From:* users on behalf of
> Corina Urdaniz
> *Sent:* Wednesday, June 8, 2022 5:24:24
itzerland
+41 21 69 34 881
http://people.epfl.ch/265334
From: users on behalf of Corina
Urdaniz
Sent: Wednesday, June 8, 2022 5:24:24 AM
To: users@lists.quantum-espresso.org
Subject: [QE-users] problems with DFT+U+V (No atom equivalent to r2 error)
Dear All, i
Dear All, i'm new in QE, i running DFT+U+V in simple system (see input
below), and i obtain this error message:
I diff > 0, diff=1.00 at1=1 at2=
1
%%
Error in routine symonpair (1
