February 28, 2021, 07:40:54 AM
Forum Rules: Read This Before Posting

Topic: How to resolve this error message? Or What is the meaning of this error?  (Read 741 times)

0 Members and 1 Guest are viewing this topic.

Offline adhikary

  • Regular Member
  • ***
  • Posts: 38
  • Mole Snacks: +0/-4
  • Gender: Male
  • Philosophy is dead, Science is the only solution.
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.


Keshab K. Adhikary
Keshab K. Adhikary
Center for Environment and Energy Research
Ghent University Global Campus
Yeonsu-Gu, Incheon; S. Korea

Sponsored Links