.
From: users on behalf of Paolo
Giannozzi
Sent: 03 March 2021 15:51
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] ibrav (QE)
Please plot them with the same x and y ranges and dimensions.
On Wed, Mar 3, 2021 at 2:34 PM sally issa
mailto:sally.is
his fillings with this same range of x.
> Thank you
> Sally ISSA
> --
> *From:* users on behalf of
> Lorenzo Paulatto
> *Sent:* 03 March 2021 15:14
> *To:* Quantum ESPRESSO users Forum
> *Subject:* Re: [QE-users] ibrav (QE)
>
> They look pre
Sent: 03 March 2021 15:14
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] ibrav (QE)
They look pretty much the same to me, except being plot with a different range
along x
--
Lorenzo Paulatto - Paris
On Mar 3 2021, at 1:55 pm, sally issa wrote:
I try to calculate the density of state
They look pretty much the same to me, except being plot with a different range
along x
--
Lorenzo Paulatto - Paris
On Mar 3 2021, at 1:55 pm, sally issa wrote:
>
> I try to calculate the density of state of Nb which is stable in centered
> cubic. To do this I use ibrav = 0 and identify the
I try to calculate the density of state of Nb which is stable in centered
cubic. To do this I use ibrav = 0 and identify the cell_parameter. but with
ibrav = 0 I get a number of electrons from the shell d = 7 electrons (instead
of 10).
I tried to do this with ibrav = 3 which is good for the
