[Pw_forum] Cannot converge a calculation

[Shaptrishi Sharma]

Hi all,

I would like to converge my system but I acn se that if I vary a single
parameter also there is a huge variation in result. For example, when I kept
the cell _parameter as
1  0    0
1 1.5   0
1  0   1.5

the total energy seems to change from 0.087 eV to 0.601 eV . Can anybody
please advice me ?

Thanks

Shapt

Pune University
Pune
India
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