<PW_QS>
1                       // if or not calculate the spillage. 1/0
0                       // restart or not. 1/0
1                       // if or not output the file. 1/0
1          				// number of structures.
H-6-0.6.15.dat
</PW_QS>

<PARALLEL>
1            //number of k points
1			// number of pools
</PARALLEL>

<BLOCK_NE>
15
</BLOCK_NE>

<SCHEME_VALUE>
2
<SCHEME_VALUE>

<METROPOLIS>
1.0e-8              // Start temparature for spillage
0.5                 // Cooling rate
2                   // Number of temperatures(spillage)
500                 // Number of steps per temparature

1.0e-2				// start temperature for kinetic energy
0.8					// Cooling rate
1                   // Number of temperatures(kinetical)
100                 // Number of steps per temparature

0.05                // Delta kappa
49                  // Selectly output information

100                 // Acceptance_steps
0.4                 // Acceptance_high
0.2                 // Acceptance_low

50                   // Max kinetic energy(Rydberg).
0.01                // 'dr' for kinetic minimized.
1                   // 1: Kin 2: Ecut
</METROPOLIS>

<BANDS>
1                   // to control the number of bands.(Yes1/No0)
1                   // int, the start band index(>0).
1          // int, the ed band index(<provied bands).
<BANDS>

<OPTIMIZE>
2                 // Number of levels.
# label / na / skip / lmax / each L /
01 2 new 1 1 1 
01 2 new 1 1 1
01 2 new 1 1 1
</OPTIMIZE>

<PLOT>
0.01   //dr(a.u.) of uniform mesh. Attention!!dr will affect kinetic energy minmized largely.
-6      //xmin
1       //zed, chosen as valence charge.
0.01    //dx
6.0     //xmax
</PLOT>

<CAL_C4>
0
2
./FILE/Si-S.ORBITAL
0
./FILE/Si-P.ORBITAL
1
</CAL_C4>

<TEST>
0                       // 'yes' to do this.
14.0                    // rcut, only useful for test program
0.01                    // dr, for simpson integral
2                       // test eigenvalue index
2                       // lmax
</TEST>

