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 <abhilashpa...@niser.ac.in> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <wien@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
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