[Ifeffit] Environmental geochemist position at DOE-National Energy Technology Laboratory
Dear ifeffit members, Recently we are interested in hiring an environmental geochemist for our critical mineral sustainability program at NETL, Pittsburgh, PA. Synchrotron experience is a plus. U.S. citizens are strongly preferred. Here is the specific job posting. https://leidos.wd5.myworkdayjobs.com/External/job/Pittsburgh-PA/Environmental-Geochemist_R-00091475 Feel free to pass along this information to your students who are interested. If you have any questions related to the post, feel free to contact me at mengling.stuck...@netl.doe.gov Thanks and have a nice day, Mengling -- Mengling Stuckman Leidos Technical Fellow National Energy Technology Laboratory U.S. Department of Energy Pittsburgh, PA mengling.stuck...@netl.doe.gov Office: 412-386-7387 ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
Re: [Ifeffit] Using larch for feff Fitting -> simple 4 parameter fit
Thanks for the feedback: > Am 18.08.2022 um 13:55 schrieb Christopher Patridge : > > Stefan, > > The simple 4 parameter fit typically involves just a single path such as the > first coordination shell. Do you have multiple paths or multiple unique > scatterers inside the first coordination? Artemis allows to do a fit with one structure with the for parameter: amp and enot (aka So2 and e0 in larch) and fit also with one delr (difference to structure) and one ss (aka sigma2 in larch) This is not really perfect, but a nice and fast check of your structure best regards Stefan Mangold > > Chris > >> On Aug 18, 2022, at 7:50 AM, Mangold, Stefan (IPS) >> wrote: >> >> Dear all, >> >> I try to use larch for Feff Fitting. For a first start, I liked the option >> of Artemis with the „simple 4 parameter fit“. Larch produces for every path >> an independent dear and sigma2. Is there a simple way to make this simple 4 >> parameter fit also in larch? >> >> best regards >> >> Stefan Mangold >> >> ___ >> Ifeffit mailing list >> Ifeffit@millenia.cars.aps.anl.gov >> https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fmillenia.cars.aps.anl.gov%2Fmailman%2Flistinfo%2Fifeffit&data=05%7C01%7Cpatridge%40g-mail.buffalo.edu%7Ccccbc3cc26e4487ac00808da810fe8a1%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C637964202583394046%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=UJUVs04UBZ%2BQxYkEUD0XDZLYdM%2BFj%2BYHnHZ86Gzw2zQ%3D&reserved=0 >> Unsubscribe: >> https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fmillenia.cars.aps.anl.gov%2Fmailman%2Foptions%2Fifeffit&data=05%7C01%7Cpatridge%40g-mail.buffalo.edu%7Ccccbc3cc26e4487ac00808da810fe8a1%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C637964202583550284%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=fe6%2B9J1eoeiUe2SM80XtQcWQoSYcrCfQ18XzDr1sz5Y%3D&reserved=0 > > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
Re: [Ifeffit] Using larch for feff Fitting -> simple 4 parameter fit
Stefan, The simple 4 parameter fit typically involves just a single path such as the first coordination shell. Do you have multiple paths or multiple unique scatterers inside the first coordination? Chris > On Aug 18, 2022, at 7:50 AM, Mangold, Stefan (IPS) > wrote: > > Dear all, > > I try to use larch for Feff Fitting. For a first start, I liked the option of > Artemis with the „simple 4 parameter fit“. Larch produces for every path an > independent dear and sigma2. Is there a simple way to make this simple 4 > parameter fit also in larch? > > best regards > > Stefan Mangold > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fmillenia.cars.aps.anl.gov%2Fmailman%2Flistinfo%2Fifeffit&data=05%7C01%7Cpatridge%40g-mail.buffalo.edu%7Ccccbc3cc26e4487ac00808da810fe8a1%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C637964202583394046%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=UJUVs04UBZ%2BQxYkEUD0XDZLYdM%2BFj%2BYHnHZ86Gzw2zQ%3D&reserved=0 > Unsubscribe: > https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fmillenia.cars.aps.anl.gov%2Fmailman%2Foptions%2Fifeffit&data=05%7C01%7Cpatridge%40g-mail.buffalo.edu%7Ccccbc3cc26e4487ac00808da810fe8a1%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C637964202583550284%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=fe6%2B9J1eoeiUe2SM80XtQcWQoSYcrCfQ18XzDr1sz5Y%3D&reserved=0 ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
[Ifeffit] Using larch for feff Fitting -> simple 4 parameter fit
Dear all, I try to use larch for Feff Fitting. For a first start, I liked the option of Artemis with the „simple 4 parameter fit“. Larch produces for every path an independent dear and sigma2. Is there a simple way to make this simple 4 parameter fit also in larch? best regards Stefan Mangold ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
