Thank you for your quick attention. I added starting_magnetization to both atoms. It behaved similarly (attached). I didn’t remove from W and add to N. Should that factor in? I had to reduce k-points to 444111 as at 888111 memory requirement was crossing 250 GBs.
Regards Tejas From: users <users-boun...@lists.quantum-espresso.org> On Behalf Of Mostafa Youssef via users Sent: Monday, February 1, 2021 09:13 PM To: Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org> Subject: Re: [QE-users] Convergence with interstitials Dear Tejas, Did you test giving an initial magnetic moment to N instead of W? For example: starting_magnetization(2)= 0.5 Regards, Mostafa AUC
WN-M.relax.in
Description: WN-M.relax.in
WN-M.relax.out
Description: WN-M.relax.out
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