Calculation of the first derivatives of Madelung constants with respect to cell lengths
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资源简介：
Title of program: MADELUNG DERIVATIVES
Catalogue Id: ACMO_v1_0
Nature of problem
To calculate the Madelung constant and its derivatives with respect to the cell lengths for the input crystal structure, in a charge dependent and charge independent form.
Versions of this program held in the CPC repository in Mendeley Data
ACMO_v1_0; MADELUNG DERIVATIVES; 10.1016/0010-4655(78)90031-0
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
