I see. Thank you.
From: m_jama...@yahoo.com
Date: Tuesday, November 15, 2022 at 9:22 PM
To: A Mailing list for WIEN2k users , Park,
Ken
Subject: Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
I was able to verify the crash using e=0.3 for C44 with -set-TOL option as:
Dear wien2k community,
When I am trying to run calculations with hybrid exchange-correlation
potential, the hf program produces an error without much details on what went
wrong (error in calc_h_1: info not equal to 0). I see that there is some
problem with the atom where I added HDLO (NaN in
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