[Pw_forum] relaxation

[meghdad saeedian]

Dear all, 

I am trying to relax Ni atom by using the converted
pseudopotential of CASINO format (http://www.tcm.phy.cam.ac.uk/~mdt26/casino2_pseudopotentials.html). 
But the pressure obtained from it is
too far of the desired value. That's according to it:

        total   stress  (Ry/bohr**3)                   (kbar)     P=********
  -0.59082488   0.00000000   0.00000000     -86913.33      0.00      0.00
   0.00000000  -0.59082488   0.00000000          0.00 -86913.33      0.00
   0.00000000  
 0.00000000  -0.59082488          0.00      0.00 -86913.33

Would you please help me and tell me where the problem is?
I have also attached the converted pseudopotential file as well as  the input and output files. 
Thanks in advance.

Yours,
Saeedian





      
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