Re: [Wien] RE How to do the different magnetic calculation for a material (for example:NiO)

Thanks Lyudmila for your reply I agree with you " in text they call it nonmagnetic, and only in Figs they write para." As Dr Blaha said, non magnetic phase is not the paramagnetic one. Now I wa

Re: [Wien] RE How to do the different magnetic calculation for a material (for example:NiO)

On 24.12.2014 21:55, Abed Reg wrote: 2/ I found in some documentation that they have done a paramagnetic calculation with wien2k code like what's mentionned below: I am sure that they had done nonmagnetic calculations with local atomic M=0, at least in text they call it nonmagnetic, and only i

[Wien] Structural relaxation

Dear friends, I am a new wien2k user. I did structural relaxation (atomic position) calculation using the command as min -j 'runsp_lapw -I -fc 1.0 -i 100' There was no error in my calculation. But it does not save the new case.struct files under case_1/2/3/ ..Could you tell how to save all the n