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[ESPResSo-users] NEB
From
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Maryam Keshavarz
Subject
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[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
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Binary data
neb_tio2_118.in
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Binary data
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Michael Kuron
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2017/12/12
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