uary 8, 2018 6:26 PM
To: Mohammed Ghadiyali; PWSCF Forum
Subject: Re: [Pw_forum] Applying sawtooth filed parallel to a system
Dear Ghadiyali Mohammed Kader,
the paper by Meyer and Vanderbilt does include a discussion about the "dipole
correction".
The whole story (why a dipole corr
Dear Ghadiyali Mohammed Kader,
the paper by Meyer and Vanderbilt does include a discussion about the
"dipole correction".
The whole story (why a dipole correction is needed) is actually a little
bit more involved and
not so important - you just need to know, that if you want to simulate a
.
From: Thomas Brumme <thomas.bru...@uni-leipzig.de>
Sent: Monday, January 8, 2018 4:43 PM
To: Mohammed Ghadiyali; PWSCF Forum
Subject: Re: [Pw_forum] Applying sawtooth filed parallel to a system
Dear Ghadiyali Mohammed Kader,
the paper by Meyer and Vanderbilt is fine - no use to read t
.
*From:* Thomas Brumme <thomas.bru...@uni-leipzig.de>
*Sent:* Monday, January 8, 2018 4:00 PM
*To:* Mohammed Ghadiyali; PWSCF Forum
*Subject:* Re: [Pw_forum] Applying sawtooth filed parallel to a system
Dear Ghadiyali Mohammed
<thomas.bru...@uni-leipzig.de>
Sent: Monday, January 8, 2018 4:00 PM
To: Mohammed Ghadiyali; PWSCF Forum
Subject: Re: [Pw_forum] Applying sawtooth filed parallel to a system
Dear Ghadiyali Mohammed Kader,
there was no input file attached to your mail. Anyway... The electric field via
"t
--
*From:* Thomas Brumme <thomas.bru...@uni-leipzig.de>
*Sent:* Monday, January 8, 2018 3:33 PM
*To:* PWSCF Forum; Mohammed Ghadiyali
*Subject:* Re: [Pw_forum] Applying sawtooth filed parallel to a system
Dear Ghadiyali Mohammed Kader,
applying the electric field parallel t
<thomas.bru...@uni-leipzig.de>
Sent: Monday, January 8, 2018 3:33 PM
To: PWSCF Forum; Mohammed Ghadiyali
Subject: Re: [Pw_forum] Applying sawtooth filed parallel to a system
Dear Ghadiyali Mohammed Kader,
applying the electric field parallel to the system, thus placing the potential
Dear Ghadiyali Mohammed Kader,
applying the electric field parallel to the system, thus placing the
potential jump "into" the system
makes no sense and is wrong. Yet, if you provide more details on what
you actually want to do,
someone might be able to help.
Regards
Thomas
On 08.01.2018
Dear All,
Is it possible to use the sawtooth method as I require smearing for applying
electric field parallel to a system?
I do understand the parameter edir can be used to specify the direction, but it
also specifies the direction of vacuum.
I mean, I have a vacuum along the z-direction
