[Pw_forum] regarding charge density plot

himanshu at iopb.res.in himanshu at iopb.res.in
Sun Mar 9 03:43:30 CET 2014


 Thanks for help. I will try.
> Dear Himanshu,
>
>    I don't know any direct way, hopefully some one else can help
> directly. Otherwise modifying the source code of PP, at least the
> value 5 of 'plot_num', producing STM images using the Tersoff-Hamann
> method should be close to what you want: This does it from the Fermi
> energy to the value of 'sample_bias', so modifying these limits inside the
> code would probably not be that difficult.
>
>      Greetings,
>
>         apsi
>
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
>    Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
>    Institut für Chemie der Universität Zürich, CH-8057 Zürich
>    Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935
>
>
> On Sat, 8 Mar 2014, himanshu at iopb.res.in wrote:
>
>> Dear PWscf users,
>>
>>                   I have two questions.
>>
>> 1)Is there any possibility to calculate  charge density in a selected
>> energy window?
>>
>> Regards
>> Himanshu
>> I.O.P
>>
>>                   Is
>>
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