Dear experts...
I have received this following error when I was trying to optimize a doped
graphene sheet.
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Error in routine bfgs (1):
dE0s is positive which should never happen
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Please suggest me.... how to avoid this error.
Thank you very much for your precious time and knowledge.
Sincerely,
B S Bhushan,
Ph.D Scholar,
ABV-IIITM Gwalior, India.
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