[Pw_forum] Calculation of spin polarisation from PWscf

Dimpy Sharma dimpy.sharma at tyndall.ie
Fri Aug 14 11:43:26 CEST 2009


Hi there,

I want to know how do we perform calculation for spin polarisation in PWscf, as I have odd number of electrons in my system. However I have one more thing to ask, in my previous system as I already wrote charge is wrong apperedin the output, but in that system there are even number of electrons, so is their any other probable reason?

Can anybody help?

Dimpy
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