[gpaw-users] Two simple questions on TDDFT in GPAW

Pu ZHANG puzhang0702 at gmail.com
Sun Mar 15 09:04:55 CET 2015


Dear all,

During time propagation, it seems the default frequency of saving restart
file is one time per 100 steps. The process of data storage might take long
time considering this rather high saving frequency. Is there a way to
modify it to something like 500 or so?

The command

calc.set(txt='GPAW.txt')

specifies where to write the output for a ground state calculation. Is
there a similar thing for time propagation?

Thanks!
Best regards, Pu Zhang
--
Faculty at School of Physics, Huazhong University of Science and Technology
Room 819 (N.), Yifu Science and Technology Building
1037 Luoyu Road, Wuhan, China
E-mail: puzhang0702 at hust.edu.cn <puzha at fotonik.dtu.dk>
Homepage: www.researchgate.net/profile/Pu_Zhang4
Phone: +86 18871860394
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