[Wien] too large kpoints and nonscf calculations

[guohuaihong]

 Dear all
 
  I would like to perform a scf calculation with small kpoints,and then do nonscf calculation 

with a large kpoints. So my questions is :

1 what to do  when I want a nonscf calculation with a larger  kpoints.

2 when I only do scf calculation with too large kpoins.

The warning is as followed:

================================================== 

 NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
 length of reciprocal lattic vectors:   1.422   1.422   1.422  66.943  66.943  66.943
 nmax too large in ord1.f, set indexm at least      1724976
nmax, redimension ord1.f
1.692u 0.504s 0:02.19 100.0%    0+0k 0+0io 0pf+0w
===============================================

So I recomplier the order1.f , however,I still failed to use as large as 82 82 82 kpoints.

Actually I'm confused by the 'nmax'. Can you explain it,please? 

 
Thanks you

H.H.GUO
Magnetism and Magnetic Materials Division
Shenyang Materials Science National Laboratory
Institute of Metal Research 
Chinese Academy of Sciences
72 Wenhua Road,Shenyang 110016, China


+86-15140243901 (mobile)
work:     hhguo at imr.ac.cn



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