how to modify .MD file
Asked by
SuzyHo
Hi all,
I'm trying to sum the charge density of two systems and then use the new density as a start state of my calculation. However, I read the manual and realized that only .DM file could be read and initialized.
But I cannot read the .DM file due to the encoding mode, thus the modification of density matrix seems difficult to me.
Do you have any ideas to define initial charge density read by SIESTA?
I appreciate any response and suggestions. Thanks.
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- Siesta Edit question
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- Solved by:
- SuzyHo
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