Re: [Ifeffit] error when fitting in Artemis

2017-01-06 Thread George Sterbinsky
Hi Robert and Bruce, Thank you for your replies and, Robert, for providing a work-around. I too apologize for taking so long to respond. I was hoping to investigate the problem a bit further as to provide a more actionable bug report before responding to Robert, but in light of Bruce's message

Re: [Ifeffit] Problem with large so2: Updated

2017-01-06 Thread Scott Calvin
Hi Raj, I don’t have an easy way to read Artemis files on my computer at the moment, so I haven’t looked directly at those. But looking at your Word document, I’m puzzled by a couple of things: * You have different E0’s for the nearby oxygens from more distant shells. That can be