[ESPResSo-users] NEB

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[ESPResSo-users] NEB

From:	Maryam Keshavarz
Subject:	[ESPResSo-users] NEB
Date:	Tue, 12 Dec 2017 03:04:12 -0800

Hello

i want to calculate NEB for TiO2, but the scf convergence NOT can not achieved on image. i send you my input and output files in appendix. please help me to solve this problem.

best regard

neb_tio2_118.out
Description: Binary data

neb_tio2_118.in
Description: Binary data

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