SetAtom('Fe') Config('02.gs', '1s2') Config('02.ex', '1s1 2*') Config('02.ai', '2*2') Config('01.gs', '1s') Config('01.ex', '2*1') Config('00.gs', '') Print('nele = 02') ConfigEnergy(0) OptimizeRadial(['02.gs']) ConfigEnergy(1) Structure('le.bin', 02) TRTable('tr.bin', 02, -1) TRTable('tr.bin', 02, +1) TRTable('tr.bin', 02, -2) TRTable('tr.bin', 02, +2) AITable('ai.bin', 03) SetCIEGrid(15) CITable('ci.bin', 03) RRTable('rr.bin', 03) SetCEGrid(15) CETable('ce.bin', 02) Print('nele = 01') ConfigEnergy(0) OptimizeRadial(['01.gs']) ConfigEnergy(1) Structure('le.bin', 01) TRTable('tr.bin', 01, -1) AITable('ai.bin', 02) SetCIEGrid(15) CITable('ci.bin', 02) RRTable('rr.bin', 02) SetCEGrid(15) CETable('ce.bin', 01) Print('nele = 00') Structure('le.bin', 00) SetCIEGrid(15) CITable('ci.bin', 01) RRTable('rr.bin', 01) MemENTable('le.bin') PrintTable('le.bin', 'le.asc', 1) PrintTable('tr.bin', 'tr.asc', 1) PrintTable('ai.bin', 'ai.asc', 1) PrintTable('rr.bin', 'rr.asc', 1) PrintTable('ci.bin', 'ci.asc', 1) PrintTable('ce.bin', 'ce.asc', 1) StoreInit('test.db', 1) StoreTable('le.bin') StoreTable('tr.bin') StoreTable('ai.bin') StoreTable('ci.bin') StoreTable('rr.bin') StoreTable('ce.bin') StoreClose()