[CPMD-list] lattice parameter optimize

[Xiong Yuming]

dear all
    I want to optimize the lattice parameter of Aluminum using cpmd source. I dont know whether the input file is right and what I will get after running cpmd. what kind of information I can get through the results.
    btw,when I special the AlN structure as Hexgonal and point group as value 22, it gave me a error information on operation is wrong. If I use point group as value 24,it worked. In fact, the AlN is 22 point group and hexgonal structure. even used 24 point group, it noted me that the structure is triclinic. I dont know what is happened.
Al input file is attached.
&CPMD
OPTIMIZE GEOMETRY
MAXSTEP
20000
STEEPEST DESCENT CELL
EMASS
400
MOVIE
5
&END
&SYSTEM
SYMMETRY
1
CELL
4.0494  1.0  1.0  0.0  0.0  0.0
CUTOFF
12.0
&END
&ATOMS
*Al_SGS_BLYP KLEINMAN-BYLANDER
LMAX=P
4
0.0000  0.0000  0.0000  1
0.0000  2.0247  2.0247  1
2.0247  2.0247  0.0000  1
2.0247  0.0000  2.0247  1
&END

Thank you.
best regards
yours
xiong
        ¡¡¡¡¡¡¡¡Xiong Yuming
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡ymxiong at icpm.syb.ac.cn
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2002-11-18