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["程迎春" <watermall@126.com>]

Dear abinit users，
      I want to optimize the structure under isotropic pressure using the KEY 
word "strtarget". But there are some error in the log file.  The following is 
the complaint message:
===================================================================================
 BROYDEN STEP NUMBER   2  
------------------------------------------------------

 metric : ERROR -
  Current rprimd gives negative (R1xR2).R3 .
  Rprimd =   -5.132223E+01    2.963090E+01    0.000000E+00
              0.000000E+00   -5.926181E+01    0.000000E+00
              0.000000E+00    0.000000E+00   -9.492747E+01
  Action : if the cell size and shape are fixed (optcell==0),
   exchange two of the input rprim vectors;
   if you are optimizing the cell size and shape (optcell/=0),
   maybe the move was too large, and you might try to decrease strprecon.
-P-0000
-P-0000  leave_new : decision taken to exit ...
===================================================================================
Following the suggestion above, I decrease strprecon to 0.02, but the error 
remains. My crystal is hexagonal structure.  Any suggestion is appreciated.   
 The following is the input file. Thank you in advance!
===================================================================================
strtarget 0.000679785784544 0.000679785784544 0.000679785784544 0 0 0
strprecon 0.02 
ionmov 2
optcell 2 
ntime 100
nline 6
tolmxf 1.0d-3
dilatmx 2.5
ecutsm  0.5
kptopt   1 
ngkpt 4 4 4
nshiftk 1
shiftk 0.0 0.0 0.5
iscf   3     
ntypat 2         
znucl 3 20
natom 12  
typat 1 1 1 1 1 1 1 1 2 2 2 2
nband  30    
ixc 1            
ecut    25          
occopt 7
tsmear 0.01 
nstep 100               
toldfe 1.0d-7
# Lattice setup
     acell    1.1436136526E+01  1.1436136526E+01  1.8454074412E+01 Bohr
     rprim    8.6602540378E-01 -5.0000000000E-01  0.0000000000E+00
              0.0000000000E+00  1.0000000000E+00  0.0000000000E+00
              0.0000000000E+00  0.0000000000E+00  1.0000000000E+00

      xred    0.0000000000E+00  0.0000000000E+00 -2.0816681712E-16
              0.0000000000E+00  0.0000000000E+00  5.0000000000E-01
              5.1671769153E+00  9.3343538307E+00  2.5000000000E-01
             -9.3343538307E+00 -4.1671769153E+00  2.5000000000E-01
              4.1671769153E+00 -5.1671769153E+00  2.5000000000E-01
             -5.1671769153E+00 -9.3343538307E+00  7.5000000000E-01
              9.3343538307E+00  4.1671769153E+00  7.5000000000E-01
             -4.1671769153E+00  5.1671769153E+00  7.5000000000E-01
              3.3333333333E-01  6.6666666667E-01  3.9380153023E+00
             -3.3333333333E-01 -6.6666666667E-01  4.4380153023E+00
              6.6666666667E-01  3.3333333333E-01 -3.9380153023E+00
             -6.6666666667E-01 -3.3333333333E-01 -3.4380153023E+00
===================================================================================
 
        

　　　　　　　　
                                Sincerely Yours，        

　　　　　　　　  CHENG Yingchun