[Wien] (no subject)

[Shakeel Khandy]

Sir ,

thanks sir for your suggession.I got c12 a negative quantity as given
below.How can i calculate elastic constants at 0 pressure .what changes i
have to make.

 Elastic parameters for cubic P phase
Title

At volume:         394.13740 bohr^3 per formula:
At calculated pressure: -.000691 a.u. or   -10.158351 GPa

 in atomic units:
c11=        0.006412 c12=        0.010347 c44=       -0.009674

 in GPa:
c11=       94.319014 c12=      152.204108 c44=     -142.309012
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