[Pw_forum] spin-polarized calculation and Magnetic Moment
hushujun at mail.sdu.edu.cn
Mon Mar 14 04:22:27 CET 2005
I have a question about the spin-polarized calculation. How can i get the magnetic
momnet of each atom which is specified an initio moment in the input file, as in
the output file only totle and absolute moment is given?
And i suggest that developer of ESPRESSO package add more time information
during the running of pw.x. As lots of people calculating a large system and more
than 10k seconds for a iteration, one wants to know that when the last iteration
ends, and the average time of the early iterations. With such information one can
evaluate the process.
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