[Pw_forum] Restart of spin polarized calculations in pwscf 2.0.1
andrea.vittadini at unipd.it
Fri Apr 16 10:13:48 CEST 2004
I have tried to run the same job file with pwscf 1.3.0 and pwscf 2.0.1.
The old code runs o.k., the new one fails to restart.
Il ven, 2004-04-16 alle 07:37, pw_forum-request at pwscf.org ha scritto:
> Dear Andrea,
> when you restart a calculation the charge density should be read from file and
> the starting_magnetization keyword should not be used so that you do not
> loose any information by setting that keywork (but is needed if the file with
> the old charge density is not there). Let me know if you have any evidence
> that things are going different.
> carlo sbraccia
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> Pw_forum at pwscf.org
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