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Change the number of data point in Density of States calculation
Date: 2014/02/21 18:50
Name: DUONG Dinh Hiep   <s1330035@jaist.ac.jp>

Dear Ozaki sensei

I am doing some calculations in the hybrid system of Cobalt-graphene cluster.
Now I am calculating the density of states of this system.
I would like to ask you that Is it possible to change the number of data point in the DOS calculation. for instance, I calculated the DOS of system from -10 eV to 10 eV. there would be 500 data points. Can I increase the number of data point to 1000, 2000, 5000 etc.

Thank you very much.

Sincerely yours.

DUONG Dinh Hiep
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Re: Change the number of data point in Density of States calculation ( No.1 )
Date: 2014/03/17 16:37
Name: T. Ozaki

Hi,

For DosMain.c, just changing the following part

if (method==1){
Dos_N = 500;
}
else if (method==4){
Dos_N = iemax - iemin + 1;
}
else{
Dos_N = (emax-emin)/gaussian*5;
}

as you like will realize your wish.

Regards,

TO
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