[Pw_forum] use of starting_magnetization value when restarting an lsda cal.

[PRASENJIT GHOSH]

Dear Stefano,

Thanks a lot for ur reply.

With regards,
Prasenjit.

On Fri, June 23, 2006 15:07, Stefano de Gironcoli said:
> It is ok to restart a calculation w/o removing starting_magnetization
> definitions.
> The starting magnetization info is used when the starting potential is
> computed from atomic charges. This is usual case when starting from
> scratch.
> When you restart a calculation the first potential is read from file and
> the starting_magnetization keywords are not used and make no harm.
>
> stefano
>
> On Fri, 23 Jun 2006, PRASENJIT GHOSH wrote:
>
>>
>> Dear all,
>>
>> I'm using PWscf to do lsda calculations on clusters.
>> What I'm worried about is when restarting the cal. is it correct to
>> provide a value of the initial_magnetization because on doing so one may
>> loose the information regarding the magnetization from the previous run?
>>
>> I also tried to restart the calculation without the
>> "initial_magnetization" flag but the code is asking for an initial
>> value.
>>
>> Can anyone please throw some light on this issue?
>>
>> With regards,
>> Prasenjit.
>>
>> PRASENJIT GHOSH,
>> Ph. D STUDENT,
>> THEORETICAL SCIENCES UNIT,
>> JAWAHARLAL NEHRU CENTRE,
>> JAKKUR P. O.,
>> BANGALORE - 560064,
>> INDIA.
>>
>> PHONE:+91-80-22082835 (OFFICE)
>>            +91 9880519401 (MOBILE)
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>>
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PRASENJIT GHOSH,
Ph. D STUDENT,
THEORETICAL SCIENCES UNIT,
JAWAHARLAL NEHRU CENTRE,
JAKKUR P. O.,
BANGALORE - 560064,
INDIA.

PHONE:+91-80-22082835 (OFFICE)
            +91 9880519401 (MOBILE)