I am applying background charges in my sp calculation. To be sure that I am placing them in the right coordinates, Is there any way to visualize the background external point charges in Gaussview? as ghost/dummy atoms?
Dear Nishat Tasnim Liza,
You could have a try to set the dummy atoms' coordinate with the background charges if your bkcharges are few. If the bkcharges are numerous, the below link could help you to finish this big project, but unfortunately, it was written in Chinese.
http://sobereva.com/332
Best regards
You Chen Thank you very much. But if I place dummy atoms in my calculations, will the result be same?
Dear Nishat Tasnim Liza ,
Placing dummy atoms just helps you to confirm if the bkcharges are placed in the correct position. I had a trial on H2O with one bkcharge in gview. If we wrote a keyword "charge" and then set the bkcharge position at the last parallel in the gjf file, we cannot view the bkcharge in gview. (Please see my example Fig 1). At least I didn't find any answers to show the bkcharge. So I thought a silly solution... i.e. save another same gjf file, and replace the bkcharge with the dummy atoms. In other words, put the bkcharges' coordinate to the dummy atoms. Like the upload Fig 2. In summary, this approach just fits a few bkcharges and helps you to confirm their position. If the positions are OK, please submit the original gjf file, thus the calculation will be normal. Also, if you put quite a few bkcharges, you'd better seek other solutions, such as writing a procedure. The below link could help you to solve this situation.
http://sobereva.com/332
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