[Wien] Output wave functions using lapw7

baolingh@umich.edu baolingh at umich.edu
Mon Jul 31 23:30:46 CEST 2006


Dear Wien2k users,
          I would like to extract the wave functions from "case.vector" 
using lapw7. I studied the manual and found the coeffecients can be 
found in binary "case.abc".  My questions are
       1) How to extract the A_lm,  B_lm and C_p (the coefficient for 
the basis set) ?
       2) lapw7 needs the input from "case.in7" and "case.inq", but I 
couldn't find the two files under the directory. Are they created 
manually? and what's the format of "case.inq"?
       3) Section 8.8 says the input file is "case.in7(c)", but section 
4.1 shows the input file is "case.in7". I am confused. which one is 
correct?

Any help is appreciated!

Baoling Huang


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