[Wien] REG: c/a Optimization

[Tomas Kana]

Dear Vijaykumar Gudelli, 
 Try to extract the values of lattice constants from your scf files:
  grep :LAT  case.scf  | tail -1
 Regards 
 Tomas Kana 
  

Dear Prof. Blaha and Wien2k users,

              I'm doing optimization for a Hexagonal system with varying
c/a and with constant volume (option 2 as per User Guide from the option x
optimization)
But I could not able find out the optimized c/a ratio. I have used the
option to plot the graph E vs c/a in w2web page.
But I did not get the value of c/a ratio.
Can any one tell me which file I have to look for this?


-- 
-- *Regards*


VIJAY KUMAR GUDELLI
<vkgudelli at gmail.com>