[Wien] Unable to stop core leakage out of MT sphere problem

Laurence Marks L-marks at northwestern.edu
Sun Jul 26 09:22:36 CEST 2015


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---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Jul 26, 2015 01:47, "Sri Muralikrishna Molli, Physics, SSSIHL" <
muralikrishnamolli at sssihl.edu.in> wrote:

>  Dear All
>
>  Please help me with respect to the following:
>
>  I am not able to stop core leakage out of MT sphere  although I changed
> the separation energy up  to -10 Ry and also increased the RMT upto 1%.
>
>
> :WARNING:     0.042  Te   CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
>
> :WARNING:     0.042  Te   CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
>
> :WARNING:     0.042  Te   CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
>
> :WARNING:     0.042  Te   CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
>
> :WARNING:     0.066  V    CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
>
> :WARNING:     0.066  V    CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
>
> :WARNING:     0.066  V    CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
>
> :WARNING:     0.066  V    CORE electrons leak out of MT-sphere !!!!
> :WARNING:     touch .lcore and run scf-cycle with core density
> superposition
> :WARNING:     Or: rerun lstart with lower E-core separation energy
> LSTART ENDS
> 1.0u 0.0s 0:01.25 85.6% 0+0k 2152+10800io 7pf+0w
>
>
>
>  Thanks and Regards
>
>  --
> Muralikrishna M
> Assistant Professor
> Department of Physics
> Sri Sathya Sai Institute of Higher Learning
> Prasanthinilayam
> India
> PIN 515134
>
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