LCAO coefficients

It is possible to analyze LCAO coefficients in both the cluster and band calculations. In the cluster calculation, if a keyword, 'level.of.fileout', is set in 2, the LCAO coefficients are added into a file, *.out. As an example, LCAO coefficients of Methane.dat discussed in the Section 'Test calculation' are shown below:

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  Eigenvalues (Hartree) and Eigenvectors for SCF KS-eq.  
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   Chemical Potential (Hartree) =   0.00000000000000
   HOMO =  4

   LCAO coefficients for up (U) and down (D) spins


                          1 (U)     2 (U)     3 (U)     4 (U)     5 (U)     6 (U)
                        -0.64276  -0.36132  -0.36128  -0.36128   0.26426   0.26446

   1   C 0 s            -0.61131   0.00000   0.00000   0.00000   0.00000  -0.00000
         0 px           -0.00000  -0.00013   0.00405   0.62805  -0.00006  -0.00327
         0 py            0.00000   0.62823  -0.00026   0.00013   1.17816   0.00012
         0 pz            0.00000  -0.00026  -0.62805   0.00405  -0.00012   1.17824
   2   H 0 s            -0.17052  -0.25665  -0.00223  -0.36325   0.68908  -0.00263
   3   H 0 s            -0.17052   0.25688   0.36309  -0.00229  -0.68923   0.97445
   4   H 0 s            -0.17052   0.25658  -0.36331   0.00239  -0.68903  -0.97459
   5   H 0 s            -0.17052  -0.25680   0.00245   0.36315   0.68918   0.00278

                          7 (U)     8 (U)
                         0.26446   0.31939

   1   C 0 s             0.00000   1.93736
         0 px           -1.17824   0.00000
         0 py           -0.00006   0.00000
         0 pz           -0.00327   0.00000
   2   H 0 s            -0.97456  -0.80393
   ......
   ....

In bulk calculations, if a keyword 'MO.fileout' is set in ON, LCAO coefficients at k-points which are specified by the keyword 'MO.kpoint' are output into a file *.out. For cluster calculations, 'level.of.fileout' should be 2 to output LCAO coefficients. But, for band calculations, the relevant keyword is 'MO.fileout' rather than 'level.of.fileout'.