[Pw_forum] Use of nspin simultaneously with noncolin.

[Giovanni Cantele]

As specified here:
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node10.html#SECTION00043030000000000000 <http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node10.html#SECTION00043030000000000000>

with noncolin set to .true. the code will perform either a spin unpolarised or a spin polarised calculation according to whether you
do not set starting_magnetization or initialise it to a non zero value, respectively.

So, just add starting_magnetization, you do not need to set nspin because it is automatically set if noncolin=.true.

Giovanni


> On 25 Jan 2017, at 15:24, Mohammed Ghadiyali <m786g at live.co.uk> wrote:
> 
> Dear ALL,
> 
> I and currently working on the bi-layer 2D tin and I having band splitting when SOC is implemented. 
> 
> I want to further investigate this band splitting, similar  to the work published here:
> 
> J. Phys. Chem. Lett. 2016, 7, 2175−2181 (10.1021/acs.jpclett.6b00693)
> 
> Here they have implement the spin as well as SOC, so is there a way to use pw.x tags nspin and noncolin simultaneously.
> 
> And if not what should I do to get the similar results.
> 
> Regards,
> Ghadiyali Mohammed Kader.
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