[QE-users] DOS and PDOS not same

Shishir Timilsena expressgucci at gmail.com
Thu Mar 7 04:30:54 CET 2019


just tried it..didnt work

On Thu, Mar 7, 2019 at 4:51 AM Lorenzo Paulatto <paulatz at gmail.com> wrote:

> I think it would be faster, and less work for me, if you just tried to
> recompute the projwfc using a degauss multiplied by 13.6
>
> --
> Lorenzo Paulatto
> Written on a virtual keyboard with real fingers
>
> On Wed, 6 Mar 2019, 16:47 Shishir Timilsena, <expressgucci at gmail.com>
> wrote:
>
>> but i get same dos and pdos for this given
>>
>> On Wed, Mar 6, 2019 at 5:17 PM Lorenzo Paulatto <paulatz at gmail.com>
>> wrote:
>>
>>> unfortunately, the parameter degauss is in Ry in dos.x but in eV in
>>> projwfc.x
>>>
>>> hope this helps
>>>
>>> On 3/5/19 3:19 PM, Shishir Timilsena wrote:
>>> > DOS and Total PDOS arent same...can i get any help???
>>> >
>>> >
>>> > Shishir Timilsena
>>> > St. Xavier's College
>>> > Kathamandu, Nepal
>>> >
>>> > On Mon, Mar 4, 2019 at 8:32 PM Shishir Timilsena <
>>> expressgucci at gmail.com
>>> > <mailto:expressgucci at gmail.com>> wrote:
>>> >
>>> >     DOS and Total PDOS arent same...can i get any help
>>> >
>>> >
>>> > _______________________________________________
>>> > users mailing list
>>> > users at lists.quantum-espresso.org
>>> > https://lists.quantum-espresso.org/mailman/listinfo/users
>>> >
>>>
>>> --
>>> Lorenzo Paulatto - Paris
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