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1. ATOM User Manual

ATOM User Manual Version 3 4 0 29 May 2014 Alberto Garcia ICMAB CSIC Barcelona albertog icmab es Contents 1 PREFACE 2 A PRIMER ON AB INITIO PSEUDOPOTENTIALS 3 COMPILING THE PROGRAM 4 USING THE ATOM PROGRAM 4 1 All electron calculations LL 4 2 Pseudopotential generation AD 1 Core Corrections s 2 624 de ee Da RA be ee eee SS 4 3 Pseudopotential test ior a Geta hon e delie fac wee brie LS dea Poe Ss 5 APPENDIX THE INPUT FILE 6 APPENDIX
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