[Pw_forum] Charge density of each state

[Layla Martin-Samos]

Dear Gulcin, after the pwscf run, you will need to run PostProc code pp.x ,
asking for the correct output_format. Read this
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html
carefuly.

best regards

Layla

2012/6/26 Gulcin Kucukdalyan <gkucukdalyan at gmail.com>

> Can i plot it by using xcrysden?
>
> Thanks,
>
> Gulcin
>
>
> On Mon, Jun 25, 2012 at 3:18 PM, Mohsen Modaresi <
> modaresi.mohsen at gmail.com> wrote:
>
>> Dear Gulcin,
>> You could do Projwfc calculation after a scf one. In the latest line of
>> the out put the code separate each atom to its orbitals and print the
>> charge density of each orbital.
>> Hope it helps.
>>
>> On Mon, Jun 25, 2012 at 12:12 PM, Gulcin Tetiker <gkucukdalyan at gmail.com>wrote:
>>
>>>  Hi All,
>>>
>>> I need to calculate the charge density of each state ,not the total
>>> charge,and make a 2 and 3D plot of it.
>>>
>>> I could not figure out how to do so. Can someone please help me with
>>> this?
>>>
>>> Thanks,
>>>
>>> Gulcin
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
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>>>
>>
>>
>>
>> --
>> Mohsen Modarresi,
>> PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
>> Phone +98-9133452131
>>
>>
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>>
>
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