I cannot understand why I have not obtained neither of the three letters
of shaymlal dayananda and I have obtained all three replies. I have
checked spam also. (through mail.ru)
> Am 09.12.2018 um 22:55 schrieb shaymlal dayananda:
>> I have two
>> types of atoms (1,2 atoms are of type-1 and 3,4,5,6,7 are of type-2).
>> Am 09.12.2018 um 13:36 schrieb shaymlal dayananda:
>>> Type 1 is magnetic, I
>>> defined type1-atom1 > spin UP and type1-atom2> spin DN , during the
>>> initialization.
I'd say you should send us the .struct and other initialization files.
Have you initialized the 1 and 2 atoms in FM configuration, not
antiferromagnetically?
Did you received a good convergence (DIS)?
What was behavior of MMI001 and MMI002 in the scf cycle?
Best wishes
Lyudmila Dobysheva
------------------
Physics-Techn.Institute,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
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