[DFTB-Plus-User] SK files generation and optimization
Linwei Li
lw-li at mces.titech.ac.jp
Thu Feb 20 21:10:18 CET 2020
Dear users and developers,
I'm planning to use DFTB+ on amorphous semiconductors simulations.
However, there is no available parameters for some of the element (i.e.
for IGZO systems). To generate essential parameter sets, I downloaded
SKPAR. But when I'm trying the Si example, I find that there is code
missing for skgen command.
I have also searched for relative topics from previous email
conversations, I find in one of the reply, Dr. Bálint said the
parametrization tools will be included in future update of DFTB+ code.
While according to the time when this conversation took place, the DFTB+
version was 19.1, during cmake compilation of the newly downloaded DFTB+
I noticed that the version has been updated to 19.2 (although the
webpage still says 19.1 is the current version), but I didn't find any
module correlates to parametrization.
Sincerely,
Linwei
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