[Wien] -in1new N

[Santhy Jaiker]

Dear wien2k users,
   
  I missed some points in UG about -in1new.  The -in1new N is used for automatic linearization of energies. During optimization of the parameter such as RKmax and k point, is it sufficient to use -in1new N for only first calculation? 
   
  For example, i fixed RKmax is equal 6 and k point varies from 1000 to 10000.
  For first calculation RKmax=6 and k point=1000, i used -in1new 2.
  Next calculation RKmax=6 and k point=2000, i didn't use -in1new 2.
  Because once -in1new is used no energy searching will be done anymore.
  am i right?
   
  In -in1new N, N means new .in1 file after N iteration.  What are the deciding factors of N?  or how to choose the N value?
   
  Thanks in advance.


Regards,
  Santhy Jaiker
   
  Research Scholar
  Materials Thermodynamics Lab
  Department of Metallurgical and Materials Engineering
  Indian Institute of Technology Madras
  Chennai - 600 036
  India
  Tel: 91-044-22575763
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