Re: [Ifeffit] Error in Atoms output

2018-03-20 Thread Godfrey, Ian
uary 2018 17:07:59 To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Error in Atoms output On 02/19/2018 06:23 AM, Kaustubh Priolkar wrote: > We are trying to fit low temperature V K edge EXAFS data in V2O3. As per > the cif files available (attached herewith – V2O3_10K data.ci

Re: [Ifeffit] Error in Atoms output

2018-02-27 Thread Kaustubh Priolkar
Subject: Re: [Ifeffit] Error in Atoms output On 02/19/2018 06:23 AM, Kaustubh Priolkar wrote: > We are trying to fit low temperature V K edge EXAFS data in V2O3. As per > the cif files available (attached herewith – V2O3_10K data.cif) the > structure is described by I2/a space gr

Re: [Ifeffit] Error in Atoms output

2018-02-27 Thread Bruce Ravel
On 02/19/2018 06:23 AM, Kaustubh Priolkar wrote: We are trying to fit low temperature V K edge EXAFS data in V2O3. As per the cif files available (attached herewith – V2O3_10K data.cif) the structure is described by I2/a space group. When this file is read by ATOMS it gives an erroneous output

[Ifeffit] Error in Atoms output

2018-02-19 Thread Kaustubh Priolkar
Hello! We are trying to fit low temperature V K edge EXAFS data in V2O3. As per the cif files available (attached herewith – V2O3_10K data.cif) the structure is described by I2/a space group. When this file is read by ATOMS it gives an erroneous output ( attached herewith - feff.inp). In