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

PRASENJIT GHOSH prasenjit at jncasr.ac.in
Fri Jun 23 06:53:17 CEST 2006


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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