Re: R 3 m:R in fullprof

: 2022년 8월 11일 목요일 오전 4:39 받는 사람: 김도연(에너지환경연구팀) 제목: Re: R 3 m:R in fullprof Dear Kim, Some good news and some bad news 1. Please check that all of your phases have correct crystallographic SOFs. Phases 2 and 3 are off by a factor of 8. This is the bad news. The good news is that FP seems corrects

Re: R 3 m:R in fullprof

, Pohang, Gyeongbuk, 37673 Republic of Korea E-mail: kdo01...@postech.ac.kr, kdo01...@gmail.com Tel: +82-054-279-1613, Mobile : +82-010-7350-2858 보낸 사람: Fernando Igoa 보낸 날짜: 2022년 8월 10일 수요일 오후 7:21 받는 사람: 김도연(에너지환경연구팀) 제목: Re: R 3 m:R in fullprof Hello Kim

Re: R 3 m:R in fullprof

Dear Kim, Are you sure you are deleting/adding the atoms generated by the change of system? Otherwise did you check if the occupations remain the same for the atoms after refining in each system? Like the true chemical occupations, not the occupation number refined in fullprof. Because in fullpro

R 3 m:R in fullprof

Hello, all experts I figured out the excited update in fullprof, which was we can do refine the primitive cell of rhombohedral group immediately. (https://www.ill.eu/sites/fullprof/php/FullProf_News_2022.htm#2007) Fullprof News - 2022