cell_dofree = "2Dxy"
Hello Barsha,you give very little detail about your system, but I would guess that the algorithm fails because the cell constraint does not allow the cell pressure to get under the threshold, you may need more vacuum or less tight constraint.
/If I have two types of atoms and put zero for starting_magnetization for both, how is it taken? If magnetization is given for one type of atom then how is it calculated? And if startine_magnetization is given for both, then what does the code consider?/
Because you have set lspinorb and noncolin=.true., the calculation will include spin-orbit coupling (if at least one of your pseudopotentials is full relativistic), but there will be no net magnetization as you are not breaking the spin symmetry in the initial conditions.
hth -- Dr. Lorenzo Paulatto IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université phone: +33 (0)1 442 79822 / telegram: lpaulatto http://www.impmc.upmc.fr/~paulatto/ - https://anharmonic.github.io/ 23-24/423 B115, 4 place Jussieu 75252 Paris CX 05
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