[Pw_forum] quenching input file example

chenjie gu archygu at gmail.com
Tue Jun 1 08:08:58 CEST 2010


Hi Haldar, thank you so much, I will try.

2010/5/31 soumyajyoti haldar <soumyajyoti.haldar at gmail.com>

> Hi,
>
> you have to set ion_temperature = 'reduce-T'
> it reduce the ionic temperature every  "nraise" steps by the (negative)
> value "delta_t"
> so you need to set those also.
>
> For more details on the parameter pls refer to you <QE install
> directory>/Doc/INPUT_PW.txt , Name List IONS.
>
> Reagards,
>
>
>
> --
> Soumyajyoti Haldar
>
> Junior Research Fellow
> Advance Computing Laboratory
> Department of Physics, University of Pune
> Ganeshkhind, Pune - 411007; INDIA
>
> Tel : (+91 20) 25692678; Extn # 408
> ~~~***~~~***~~~***~~~***~~~***~~~***~~~***~~~
>
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>


-- 
Yours Regards,
chenjie GU
EEE,Nanyang Technoligical University
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