[Ifeffit] Anyone use OCEAN?

2019-09-12 Thread Matthew Marcus
OCEAN is the U. Washington program for doing XANES sims using ab-initio, Bethe-Salpeter methods (http://monalisa.phys.washington.edu/OCEAN/ocean-about.html). It seems to require a certain amount of experience and expertise to get it to produce any result, let alone correct results. I wonder

[Ifeffit] Occupation number error getorb

2019-09-12 Thread Patridge, Christopher
Hello, I have searched back on the mailing list regarding the occupation number error and found bad counts with getorb. I have tried a number of settings as per the email thread, however nothing seems to correct the error. I trying to calculate a vanadium oxide K-edge but as the earlier

Re: [Ifeffit] need version for 32 bit

2019-09-12 Thread Seham Kamal
yes, this one thank you very much On 9/11/19, Matt Newville wrote: > On Wed, Sep 11, 2019 at 3:25 AM Seham Kamal wrote: > >> Dears, >> Good morning, >> Is it possible to send the version that works on 32 bit >> best regards >> Seham >> >> > Perhaps you are looking for >