Addressing the conversion of the 3ob-3-1, matsci-0-3, mio-1-1, and pbc-0-3 parameter sets (with fixes transferable to others).
While there is some information available online about converting dftb.org Slater-Koster (.skf) files for use in Gaussian 09/16, the simple procedures you might see for set A might not work for set B because of subtle formatting issues between the different sets.
As is often the case, some of the issues below would not have been confirmed/remedied without the kind assistance of feedback from Gaussian Technical Support. Also as usual for this site, error messages are provided for each stage of the conversion process for relevant parameter sets, with the searches for these errors likely being the way you found this page in the first place.
Continue reading “Conversion Of DFTB Parameter Sets From dftb.org For Use In Gaussian 09 And Gaussian 16 – Errors And Fixes”
Above: Curiosity Rover looks up at Mount Sharp, Gale Crater, frickin’ Mars. Image Credit: NASA/JPL-Caltech/MSSS.
With two posts here and two issues accounted for (both featuring my modest contributions to the English language version), there’s now even a populated category link to click on for the whole (still short) history.
The July-August issue of Free Astronomy Magazine has been up for a few weeks now and I hope you were already aware of that from the CNY Observers post about the same.
Varied enough to cover the last 13.55 billion years and even sneak out into speculative engineering efforts in the not-too-distant future, all the while short enough to finish in one educational go. Better still, New Moon Telescopes is now even more internationally recognized, albeit perhaps still in English throughout.
I had to go right to the papers that explain the process of exoatmospheric helium detection by infrared spectroscopy (see the Nature article HERE), then think that “stellar thief” is a great name for a band.
Please download, read, and pass along. Also, check out the many back issues at www.astropublishing.com
Above: Marius Hills and a Hole in the Moon. Image Credit: NASA, Lunar Orbiter 2; Inset: Lunar Reconnaissance Orbiter.
I am very pleased to mark my new editing contributions to the English-language version of Free Astronomy Magazine, starting with the current May-June 2018 issue. This new role was made possible by Michele Ferrara, Editor-in-Chief of the free and multi-language astronomy magazine that I have been very happily promoting on the CNYO site for several years now – and that I now get to promote here and on the CNYO site with my NASA Solar System Ambassador hat on. A combination of space agency publications (all the heavy hitters – NASA, ESA, ESO, ALMA, and Keck, among others) and original content, FAM has been a wonderful resource for those wanting to take a step beyond observation and into hard science and the many missions that make cutting-edge astronomy and astrophysics possible. It’s not only convenient to have a number of significant articles combined into a single magazine, but the inclusion of informative images and a great layout makes the download and read a no-brainer.
The process started in early April of figuring out what it meant to be providing a bit of translating and editing skills for both the text and the scientific content – that it, it not only has to be correct, you have to make sure it’s right as well (let that sink in!). And the timing could not have been better (although that wasn’t known until later in April).
Finally, it’s a wonderful thing to be able to combine science outreach (which I very much enjoy) with an established brand that is doing more than its share to make astronomy and space science accessible to a considerable part of the global population (we’re talking bimonthly magazines translated into English, Spanish, French, Italian, and Portuguese, with requests for additional translations into other languages scrolling on the main page).
The Table Of Contents for the May-June 2018 issue is reproduced below. Follow links below to the on-screen PDF and downloadable versions. If you enjoy it, please forward along the links and astropublishing.com site.