[CP2K-user] [CP2K:21323] Optimization of Pt111 structure with dipole correction is difficult to converge

[tiankongbuyi]

Dear CP2K Community,
I hope this message finds you well.
I am currently attempting to calculate the work function of the Pt 111 surface but am encountering difficulties with convergence when applying dipole correction. Conversely, removing the dipole correction results in rapid convergence. Could you please offer any advice on how to achieve convergence with dipole correction enabled? The cp2k input and output files are in the attachment
Thank you for your help!
Best regards, 
Xiangyan Hou
tiankongbuyi
tiankongbuyi at gmail.com

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