<PW_QS>
1						// if or not calculate the spillage. 1/0
0						// restart from file or not. 1/0
0						// if or not output the file. 1/0
1						// number of structures.
/home/mohan/3_my_program/1_MCSP/GaAs.10.5.dat_haha
</PW_QS>

<PARALLEL>
8					//number of kpoints.
1					//number of pools.
</PARALLEL>

<BLOCK_NE>
20
</BLOCK_NE>

<SCHEME_VALUE>
2					//1:max 2:average
<SCHEME_VALUE>

<METROPOLIS>
1.0e-9				// Init temparature for spillage
0.5					// Cooling rate
1					// Number of temperatures(spillage)
0					// Number of temperatures(kinetical)
100					// Number of steps per temparature
0.005				// Delta kappa
5					// Selectly output information
100					// Acceptance_steps
0.4					// Acceptance_high
0.2					// Acceptance_low
100					// Max kinetic energy(Rydberg).
0.01				// 'dr' for kinetic minimized.
1					// 1: Kin 2: Ecut
</METROPOLIS>

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

<OPTIMIZE>
2					// Number of levels.
# label / na / skip / lmax / each L /
31  1 new 2 0 1 1 
33	1 new 2 0 1 1 

31  1 new 1 1 1  
33	1 new 1 1 1 

</OPTIMIZE>


<PLOT>
0.005	//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>
