Re: [QE-users] error in applying magnetic properties of ferrite based materials

2021-03-04 Thread M.Golmoammadi
It was a spelling error in typing my message. as what you mentioned I set that, noncolin= true and I had that problem as I mentioned. best, Mahsa On Thu, Mar 4, 2021, 4:04 PM 박민규 wrote: > Dear Mahsa, > > Try to set noncolin = .true. > > Best, >

Re: [QE-users] error in applying magnetic properties of ferrite based materials

2021-03-04 Thread 박민규
Dear Mahsa, Try to set noncolin = .true. Best, == Minkyu Park Research Institute of Basic Sciences, University of Ulsan, 93, Daehak-ro, Nam-gu, Ulsan, 44610 Republic of Korea minkyup...@ulsan.ac.kr +82-52-259-1473

[QE-users] error in applying magnetic properties of ferrite based materials

2021-03-04 Thread M.Golmoammadi
Hi I am trying to simulate a magnetic system which is based on ferrite with Quantum Espresso. As the first step, I tried to run ''vc-relax'' input file for monitoring the changes of cell_parameters after running ''relax calculation''. As the fact that my structure is an antiferromagnetic