[QE-users] DOS and PDOS not same

Lorenzo Paulatto paulatz at gmail.com
Thu Mar 7 00:05:45 CET 2019


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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