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Specialty Chemistry Forums => Materials and Nanochemistry forum => Topic started by: adhikary on October 31, 2019, 06:16:24 AM

Title: How to resolve this error message? Or What is the meaning of this error?
Post by: adhikary on October 31, 2019, 06:16:24 AM

Dear Scholars,

I am working in material studio (windows). A 7x7 and 8x8 graphene sheet where 3 carbon atoms are replaced by nitrogen by creating a hole. all the nitrogen atoms are pyridinic nitrogen in the sheet. Using DMole3 calculation during optimization it produces an error. I need to know the reason of this error and how to solve the problem? If anyone can help me, will be accepted thankfully. I am attaching a copy of error message.

Advance thanks is remaining for the fellow participants.

Sincerely

Keshab K. Adhikary