Thank you so much sir !
On Fri, Jan 8, 2021 at 10:22 PM Peter Blaha
wrote:
> Most likely the tetragonal distortion splits some atoms.
> Therefore tetra.inst does not fit tetra.struct
>
> Remove tetra.inst (rm tetra.inst)
>
> and initialize again.
>
> Am 08.01.2021 um 06:52 schrieb upasana
08.01.2021 09:52, upasana chauhan wrote:
I was doing elastic calculations for cubic structure. I found this error
while doing initialization for tetra.
---
ERROR !!! nstop,iter,tets,test 362 2
Most likely the tetragonal distortion splits some atoms.
Therefore tetra.inst does not fit tetra.struct
Remove tetra.inst (rm tetra.inst)
and initialize again.
Am 08.01.2021 um 06:52 schrieb upasana chauhan:
Dear users,
Greetings !
I was doing elastic calculations for cubic structure. I
Dear users,
Greetings !
I was doing elastic calculations for cubic structure. I found this error
while doing initialization for tetra.
---
ERROR !!! nstop,iter,tets,test 362 2 9.99974752427E-007
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