|
From: Nichols A. R. <nr...@ui...> - 2004-07-28 19:18:39
|
Hi, I have several question regarding the pseudopotentials (PP) supported by OPIUM. Question #1 ------------ Your web page states at http://opium.sourceforge.net/menu_about.html that OPIUM generates OPT PP described in PRB 41, 1227 (1990). Is there any support for the DNL PP described in PRB 59, 12471 (1999)? Question #2 ----------- The SIESTA LCAO DFT code uses the PP generated by the ATOM program http://bohr.inesc-mn.pt/~jlm/pseudo.html Can OPIUM generate TM PP pseudopotential? Question #3 ----------- The papers I've read so far compare OPT PP with mostly the HSC PP. Are the any papers which computer OPT and the TM PP? Bests, -- Nichols A. Romero 4-133 ESB, MC 704 508 East Michigan Avenue 1110 West Green Street Apartment 12 Urbana, IL 61801-3080 Urbana, IL 61801-5176 (217) 333-6108 (217) 417-5210 |