ABINIT Discussion Forums

Dear Abinit Users,
please let me know how can I do AFM GW calculations correctly.
I have attached my input and output files for two second levels of GW calculations on an AFM system.
I changed spinat as up and down, of course it is not the real state of the system. first. I applied AFM just on Ru atoms, but I got errors and then in first level it was OK. but again in 2nd one I have errors like this:
fermi : total number of electrons = 144

fermi : input and calculated number of electrons differ by 4.00000000
fermi : calling newocc with fixmom = -99.99000

newocc : BUG -
nelect must be smaller than nband*maxocc, while
the calling routine gives nelect= 1.44000000E+02, nband= 70 and maxocc= 2.00000000E+00.
Action : contact ABINIT group.

.Delivered 7 WARNINGs and 1 COMMENTs to log file.

leave_new : decision taken to exit ...
1
my system is Ca2RuO4 for calculation.of course, first of all we need to have antiferromagnetic configuration for Ru atoms. so we applied spinat variable changes as antiferromagnetic one only for Ru. but since it has then problems and errors we had to change all of spinat as plus minus in all input files. this however worked in step 1 and in second it was interrupted by above mentioned problems. I attached input files.

please let me know what can I do to reduce calculation size and for solving the problems of errors. and please let me know how can I apply the real AFM configuration for this system which is G-type antiferromagnetic. is there any way to make some changes in spinat variable in order to recognize different AFM types of system?
I need your kindness for replying to my email as soon as possible. it is really vital to me.

Regards
Zahra Hooshmand