[Pw_forum] Calculation of projected denstiy of states
Gabriele Sclauzero
sclauzer at sissa.it
Thu Sep 3 11:24:36 CEST 2009
Shaptrishi Sharma wrote:
> Hi there,
> I would like to know about the script file for calculating the
> projectedd ensity of state. As previously in my script file I gave
> written projwfc.x, however the programm was not accepted, thus I rename
Was does it mean "not accepted" precisely??? Please report some error message!
> it to pw.x. Now my programm is in queu.So I donot know whether this time
> it will be accpeted or not.
Have you compiled the postprocessing programs? Type 'make' to see the available targets,
or 'make all' if you want to compile all the packages in the quantum-espresso suite.
>
> Will it work for pw.x in the script file for calculating the projected
> density of states?
No, pw.x does not compute DOS/PDOS.
>
> Thanks
>
> S
Please supply your affiliation. Thanks!
GS
>
>
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| Gabriele Sclauzero, PhD Student |
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