From PHTH1@cc.newcastle.edu.au Sun Mar 20 20:43:14 1994 Received: from BROLGA.NEWCASTLE.EDU.AU for PHTH1@cc.newcastle.edu.au by www.ccl.net (8.6.4/930601.1506) id UAA04740; Sun, 20 Mar 1994 20:31:11 -0500 Received: from cc.newcastle.edu.au by cc.newcastle.edu.au (PMDF V4.2-14 #5210) id <01HA8DBVCMI88WXUJ8@cc.newcastle.edu.au>; Mon, 21 Mar 1994 11:31:03 +1000 Date: Mon, 21 Mar 1994 11:26:57 +1000 From: Tony Dyson Subject: CCL: Need info on ESSL routine scft3 To: chemistry@ccl.net Message-id: <01HA8DJF7GWK8WXUJ8@cc.newcastle.edu.au> MIME-version: 1.0 Content-transfer-encoding: 7BIT I am trying to modify the DFT program cp93fhi to use the NAG library rather than the ESSL library. One of the ESSL routines being used is scft3, a 3-dimensional complex fourier transform. I need to find out what all the parameters are for this call, so that I can correctly replace it with the NAG routine C06FJF. Of course, since I don't have ESSL, I don't have the documentation! Can anybody help me out? Tony Dyson --------------------------------------------------------------------- Anthony J. Dyson _________ Theoretical Surface Physics Group _|__o__|_ University of Newcastle _|_(/)_|_ Australia d-b "I'd rather be flying!" Anonymous ---------------------------------------------------------------------