[Wien] Volume has changed during running optimization of c/a with constant volume & b/a

[shamik chakrabarti]

Dear wien2k users,

          I am running wien2k 19.1. I have started c/a optimization with
constant volume and b/a for an ABO4 compound. From volume optimization with
a:b:c=constant I have obtained an unit cell volume of 332.934 Ang^3. While
after calculation of lattice parameters and putting the lattice parameters
as input for c/a optimization with *constant volume* & b/a, the printed
unit cell volume is coming as 312.8004  Ang^3.

Where I am doing wrong?

Thanks in advance.

with regards,
-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200612/039ba4ab/attachment.html>