[QE-users] on diago_thr_init

[Mpayami]

Sorry:
It was diago_thr_init.

Mahmoud




From: Mpayami via users (users at lists.quantum-espresso.org)
Date: 22/04/1402 04:36
To: Quantum ESPRESSO users Forum (users at lists.quantum-espresso.org)
Subject: [QE-users] on conv_thr


Dear Developers,

I noticed that the value of "conv_thr" is set to 1.d-5 when using startingpot='file', irrespective of existing a density file or not.
Maybe it would be better it is applied when ther exists a density and code finds it. Otherwise, the code switches to 1.d-2. Isn't it?

Bests,
Mahmoud Payami
NSTRI, AEOI,Tehran, Iran
Email: mpayami at aeoi.org.ir
Phone: +98(0)2182066504
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