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["Sun ShaoRui" <sunsr@ihep.ac.cn>]

Dear Masayoshi Mikami:
    I have use ver. 4.5.2 to calculate with 80hg.12.hgh, and there is no 
problem. The problem occurs with ver.4.6.5 My system is redhat linux 7.3, the 
cpu is pentium, and the complier is intel ifc.
    The input file is shown as follows:
  kptopt   1             
nshiftk 4
shiftk  0.5 0.5 0.5  
         0.5 0.0 0.0
         0.0 0.5 0.0
         0.0 0.0 0.5
ngkpt  4 4 4  
prtden  1         
  tolvrs   1.0d-18      
    iscf   5             
acell 3*11.07          
rprim  0.0  0.5  0.5    
       0.5  0.0  0.5    
       0.5  0.5  0.0   
ntypat 2               
znucl 80 16            
natom 2               
typat 1 2              
xred              
   0.0  0.0  0.0       
   0.25 0.25 0.25      
nband  30              
 nspinor  2
 pspso    2 1
ixc 2                  
 ecut    40.0           
nstep 15               
diemac 1000             
-----------------------------------------------
another question:
In the paper(PRB, 58, 3641), the authors pointed it out that the accuracy of 
the pseudopotential is illustrated by an extensive series of
molecular calculations. Is it also right in crystal calculation?
   Thanks in advance!
                                   Shaorui Sun
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