[QE-users] Problem in SOC + magnetic calculations

[MEGHA GOYAL]

Dear Lorenzo Paulatto,
The initial conditions for both the cases are kept the same.
The input in my *FM+SOC* case is,
ibrav = 2,
celldm(1) = 12.6210,
nat = 3,
ntyp = 3,
ecutwfc = 80,
occupations='smearing',
smearing='mv',
degauss=0.025,
starting_magnetization(1) = 1,
angle1(1)=0,
angle2(1)=0,
noncolin= .TRUE.,
lspinorb= .TRUE.,

Can you please provide me with a solution to my problem?

Thankyou
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Megha Goyal
Research Scholar
Department of Physics
Sant Longowal Inst. of Engg. & Tech.
(Deemed University, Under MHRD, Govt. of India)
Longowal, Sangrur -148106 (Punjab), India
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