Karima

Dear Lars, Thank you for these detailed responses

Dear Lars, First of all, thank you for your message, I want to estimate the curie temperature of a ferromagnetic compound, so I have questions for the use of the ELK code and I would be very grateful if you will have answers 1- Is the application of a external field mandatory in a spin spirals calculation? 2-in the case of application of the field, should I choose a) a large value with reducebf to reduce its value so that it becomes infinite at the end of the calculation b) or else a low value so...

Dear Lars, First of all, thank you for your message, I want to estimate the curie temperature of a ferromagnetic compound, so I have questions for the use of the ELK code and I would be very grateful if you will have answers 1- Is the application of a external field mandatory in a spin spirals calculation? 2-in the case of application of the field, should I choose a) a large value with reducebf to reduce its value so that it becomes infinite at the end of the calculation b) or else a low value so...

dear Andrew; dear Anton F, Thank you for your responses

Dear Andrew, Thank you for you response, to give you more details, I want to do a calculation similar to the one done in this article, DOI: 10.1103/PhysRevB.67.054417 you said that it is possible without doing a series of calculations, I would be very grateful if you can explain it to me, because I don't have much experience with ELK code. Thank you again

Dear Andrew, Thank you for you response for large or small, i mean a small value or large value of filed (example 0.01 or 4.0) in my calculation, i want to calculate the variation of energy as a function of spin spirals vector, do i need to add a field value or i can do it with zero value.? Thank you in advance

Dear elk users, For magnetic compounds, it is better to start calculations with a large or a small "bfcmt" value? I want to launch a calculation without applying the field, do I have to add "reducebf" option each time? thank you in advance

Dear Andrew, Thank you very much for these detailed answers