A sample input for lapw2 is given below, it will be generated automatically by the programs lstart and symmetry.
------------------ top of file: case.in2 -------------------- TOT (TOT,FOR,QTL,EFG) -1.2 32.000 (EMIN, # of electrons) TETRA 0.0 (EF-method (ROOT,TEMP,GAUSS,TETRA,ALL),value) 0 0 2 0 2 2 4 0 4 2 4 4 0 0 1 0 2 0 2 2 3 0 3 2 4 0 4 2 4 4 10.0 (GMAX) FILE (NOFILE, optional) ------------------- bottom of file ------------------------
Interpretive comments on this file are as follows:
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