[Wien] WIEN2k 08 iter. diag. and full diag. give different energies

[banger_deep at yahoo.com]

Dear Prof. Blaha, 
 
The "-it" (iterative diagonalization)  and regular scf (full diagonalization) calculations 
in WIEN_08.3 do not give the same numbers. The old scheme (versions 7.2 and lower) in 
which iterative diag. was invoked by "-it N" (where N iterative diag. are peformed every full 
diag after cycle 1) and full diagonalization caluculations gave identical numbers in the past. In the new scheme (version 7.3 and higher), full diag. is performed only in the first scf step and iterative diag. is performed throughout the remainder of the calculation. 
 
I would like to know how the runsp_lapw script in WIEN_08 or 09 can be modified so that "-it N" can be used instead of "-it"
 
I would also like know approximate value of the Matrix size to No. of electrons ratio necessary for iterative diag. to be invoked (I know NMAT > 2000 and the number of electrons must be few but how few is unclear)
 
Thank you 
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