[Wien] The results of the 2Doptimize package

Abderrahmane Reggad jazairdz at gmail.com
Sat Jan 7 21:07:30 CET 2017


Thank you Dr Guechi for your answer

Now how to solve this problem

Iteration 23
 WSSR        : 5.95105e-25       delta(WSSR)/WSSR   : -0.343082
 delta(WSSR) : -2.0417e-25       limit for stopping : 1e-05
 lambda   : 1.12698e+07

resultant parameter values

a1              = -1536.32
a2              = 14.9665
a3              = -0.0546001
a4              = 8.8495e-05
a5              = -5.37664e-08
*************
The maximum lambda = 1.000000e+20 was exceeded. Fit stopped.
final sum of squares of residuals : 5.95105e-25
rel. change during last iteration : 0


Exactly as many data points as there are parameters.
In this degenerate case, all errors are zero by definition.

Final set of parameters
=======================

a1              = -1536.32
a2              = 14.9665
a3              = -0.0546001
a4              = 8.8495e-05
a5              = -5.37664e-08

fit: -1536.32, 14.9665, -0.0546001, 8.8495e-05, -5.37664e-08
#####################################
Vol-opt= 315.2106 ,  coa-opt= -2.901

Runtime warning (func=e, adr=123): scale too large, set to 2147483647
<%28214%29%20748-3647>
Fatal error: Out of memory for malloc.
(standard_in) 2: syntax error
a0=  , c0=  bohr
(standard_in) 1: syntax error
(standard_in) 1: syntax error
a0=  , c0=  Ang

#####################################
Do you want a hardcopy? (Y/n)y
Specify a filename (default is 2DALP.ps)
Printing hardcopy
2DALP.ps generated
***************************************************************
 I did your calculations.                                     *
 At the moment your NiS-afmI-opt2D_EE05.struct is orginal struct and
*
 all of your NiS-afmI-opt2D_EE05.Vconst* files are in the present
directory.*
***************************************************************
Would you like to add some points to these calculations?(y/N)n
************************************************************************
Preparing 'NiS-afmI-opt2D_EE05.ene' and 'NiS-afmI-opt2D_EE05.latparam'
for   x eosfit6   command
************************************************************************



Best regards
-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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