Re: [Ifeffit] Problem with cif files using Larch

2024-02-14 Thread Otal Eugenio
Hi, Thank you for your answer. I deleted Ni and Mn alternately, but it didn't work. I obtained a new one from ICSD, and it is working fine. I have attached it. Having atoms in the same position was not a problem with other CIF files, like the FMN attached one. I am fitting now, but I was

Re: [Ifeffit] Problem with cif files using Larch

2024-02-14 Thread 정은석
The site in Mn and Ni in cif is same. It makes your problem. Make only Mn in cif. I mean that Mn instead of Ni is located. And run feff. You can get the path related with Mn. After that, Make another structure in same cif, Ni instead of Mn. You can get the path of Ni. Then, use them 2024년 2월