[Pw_forum] May I get the occupation of the bands

wujianchun jcwu.suda at hotmail.com
Tue Nov 10 15:16:14 CET 2009


Dear  Gabriele Sclauzero and Lorenzo Paulatto,

 

Thank you for your kind help!

 

 Regards
 Jianchun
 Department of physics
 Soochow University, China

 
> Date: Tue, 10 Nov 2009 10:06:58 +0100
> From: sclauzer at sissa.it
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] May I get the occupation of the bands
> 
> Dear Jianchun,
> 
> wujianchun wrote:
> > Dear ,
> > 
> > How can I get the information of the occupation of the bands in Pwscf?
> 
> use verbosity='high' in the &control namelist
> 
> 
> Cheers
> 
> 
> GS
> 
> > 
> > In VASP, the "outcar" can give the "band No. ", " band energies" and 
> > " occupation" simultaneously.
> > filband in Pwscf only gives the K pionts and energies.
> > 
> > May I get the corresponding occupation of each bands?
> > 
> > Thanks a lot!
> > 
> > Regards
> > Jianchun
> > Department of physics
> > Soochow University, China
> > 
> > 
> > ------------------------------------------------------------------------
> > 更多热辣资讯尽在新版MSN首页! 立刻访问! <http://cn.msn.com/>
> > 
> > 
> > ------------------------------------------------------------------------
> > 
> > _______________________________________________
> > 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
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
 		 	   		  
_________________________________________________________________
约会说不清地方?来试试微软地图最新msn互动功能!
http://ditu.live.com/?form=TL&swm=1
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091110/f1de73ff/attachment.html>


More information about the users mailing list