[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


> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

-- 


o ------------------------------------------------ o
| Gabriele Sclauzero, PhD Student                  |
| c/o:   SISSA & CNR-INFM Democritos,              |
|        via Beirut 2-4, 34014 Trieste (Italy)     |
| email: sclauzer at sissa.it                         |
| phone: +39 040 3787 511                          |
| skype: gurlonotturno                             |
o ------------------------------------------------ o


More information about the Pw_forum mailing list