[Wien] Bader surface

Vasili Kochin kotbasilio00 at yahoo.com
Mon Aug 4 11:33:00 CEST 2003


 Dear Wien users
could please somebody tell me how do I get the Bader surface?
I run x aim -c   and 
in the case.surf I find:
 9   8.1663920000   3.4545129655   9.1845638380
 10   0.0000000000   3.1415926536
 10  -0.7853981634   2.3561944902
  0.22894430 -0.74441063  0.17351563E+01 -0.69822967E-02
  0.22894430 -0.57344020  0.20792188E+01 -0.15651607E-01
  0.22894430 -0.28181589  0.16962500E+01 -0.22944280E-01
  0.22894430  0.10462227  0.15751562E+01 -0.28199523E-01
  0.22894430  0.55154690  0.15341406E+01 -0.30949396E-01
  0.22894430  1.01924943  0.15267187E+01 -0.30949396E-01

what is the meaning of these numbers?
 
 in the case.outputaim:
:POSOUT   0.891637E+01  0.363356E+01  0.104710E+02
:STEP    9 r=  1.52551875 iat=   9 ipos= 172 time(sec)=   0.24000 nstep=   1
:POSINIT   0.892789E+01  0.353447E+01  0.105049E+02
 r < rmin r=   1.500786819968286      iat=           9 ipos=         172
:POSOUT   0.891685E+01  0.363364E+01  0.104718E+02
:STEP   10 r=  1.52630000 iat=   9 ipos= 172 time(sec)=   0.23000 nstep=   1
:RSUR   0.52551966  0.10462227  0.15266906E+01 -0.63212417E-01   28.0100
:RSUR   0.52551966  0.55154690  0.15220891E+01 -0.69376567E-01    0.0000
:RSUR   0.52551966  1.01924943  0.15224798E+01 -0.69376567E-01    0.0000
:RSUR   0.52551966  1.46617406  0.15220891E+01 -0.63212417E-01    0.0000
:RSUR   0.52551966  1.85261222  0.15224798E+01 -0.51432195E-01    0.0000
 
what does this mean?
 
thanks a.lot for the answers
Vasili


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