[Wien] Derivatives of density

[tran at theochem.tuwien.ac.at]

pwxad5.f for interstitial and xcpot1.f for the spheres

On Monday 2017-08-28 15:49, Abhilash Patra wrote:

>Date: Mon, 28 Aug 2017 15:49:40
>From: Abhilash Patra <abhilashpatra at niser.ac.in>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] Derivatives of density
>
>Dear Wien2k users,
> I want to know which subroutine calculates gradient and Laplacian of the density or from where an exchange-correlation functional gets 'grho' and 'g2rho'.  A quick reply will be very helpful.
>
>Sincerely,
>Abhilash PatraResearch Scholar
>School of Physical Sciences
>NISER,BBSR
>
>