[Pw_forum] Problem in spin polarisation

Shaptrishi Sharma sh.shapt at gmail.com
Fri Sep 11 14:04:08 CEST 2009


Hi QE users,

In one of my previous mail, I have asked about the spin polarisation in a
sytem having odd number of electrons , (I have 21 hydrogen atoms in my
system ).

As suggested I used nelup =11 and neldw = 10, however, it is showing me the
same error, as

nelp out of range.
so what shall I do now??

Thanks

SS
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