[Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2

nazari at iasbs.ac.ir nazari at iasbs.ac.ir
Sat Feb 16 15:06:56 CET 2013





I know the command for producing
cube including Rho (PP) . Would you please let me know how can I get the
wave function in cube format.

 




> On Sat, Feb 16, 2013 at 12:58 PM,
<nazari at iasbs.ac.ir> wrote: 
>> Dear All , 
>>
Is it possible a cube file which is containing psi in cube format is 
>> produced in quantum esperesso. I mean something similar to the
following 
>> in 
>> CPMD: 
>> (Real
space ) cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2 
> 
>
yes. 
> 
>> 
>> Regards 
>>
Fariba Nazari 
>> IASBS 
>> 
>> 
>> -- 
>> This message has been scanned for viruses and

>> dangerous content by MailScanner, and is 
>>
believed to be clean. 
>>
_______________________________________________ 
>> Pw_forum
mailing list 
>> Pw_forum at pwscf.org 
>>
http://pwscf.org/mailman/listinfo/pw_forum 
> 
> 
> 
> -- 
> Dr. Axel Kohlmeyer akohlmey at gmail.com
http://goo.gl/1wk0 
> International Centre for Theoretical
Physics, Trieste. Italy. 
>
_______________________________________________ 
> Pw_forum
mailing list 
> Pw_forum at pwscf.org 
>
http://pwscf.org/mailman/listinfo/pw_forum 
> 
> -- 
> This message has been scanned for viruses and 
> dangerous
content by MailScanner, and is 
> believed to be clean. 
>

> 


-- 
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130216/e97838fb/attachment.html>


More information about the users mailing list