Re: [Wien] How to fit the E(M) results using the FSM procedure ?

Thanks Pr Blaha for the script and I will try it Best regards -- Dr. Abderrahmane Reggad Engineering Physics Laboratory Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, Algeria Tel: +213(0)561861963 - Algeria ___ Wien mailing list

Re: [Wien] How to fit the E(M) results using the FSM procedure ?

Write a shell script, which is very simple: #!/bin/tcsh -f foreach i (0.0 0.5 1.0 1.5 2.0 2.5) runfsm -m $i save moment_$i end On 11/15/19 3:28 PM, Abderrahmane Reggad wrote: Thanks Pr Blaha for your answer and now I have another question Is there a possibility to do one

Re: [Wien] How to fit the E(M) results using the FSM procedure ?

A first guess would be a polynomial fit of higher order. x eosfit6 could in principle do a fit of e(V,M), but by default it does it only with a harmonic approximation which usually will not be enough for FSM results, but you need to go to 3rd, 4th or higher order. Also gnuplot can do 2D

[Wien] How to fit the E(M) results using the FSM procedure ?

Hello wien users To study the magnetic phase transitions and the different magnetic phases we use the FSM procedure. My question is to which equation do we fit the results E(M) obtained by this procedure and how to plot the energy surface in the M-V space? Best regards -- Dr. Abderrahmane