September 23, 2019, 03:18:22 AM
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Topic: Why this message? "No field has been selected for the structure."  (Read 710 times)

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Offline adhikary

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I am working with a pore adsorption in double layered N-doped graphene for a certain gas. The surface size 5x5x1. During the capacity measurement at fixed pressure and temperature with the pore size variation, when it is fixed to 0.355 nm, it gives a message as, "No field has been selected for the structure" just after the pressing Run button. Is it due to the narrower pore size or for any other reason? I am not sure about the reason of the message. Anybody can help me by describing the reasons and the solution?

An advance thanks for all the scientist.
Keshab K. Adhikary
Department of Chemistry
253, Yong Hyun Dong, Nam Gu.
Inha University
Incheon 22212; S. Korea

Offline adhikary

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Re: Why this message? "No field has been selected for the structure."
« Reply #1 on: January 31, 2019, 01:50:55 AM »
I found the solution of the above problem. There are two errors. (1) the double layered  pore size may be greater than the double of the Van daar Waal's distances. In this case initially I selected pore distance 3.5A. After optimization it reached to the 3.861A. (2) The second reason was directory location. The input section should be with in the 3 subfolders. Thank you every one who were involve in the problem and read the query.
Keshab K. Adhikary
Department of Chemistry
253, Yong Hyun Dong, Nam Gu.
Inha University
Incheon 22212; S. Korea

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