The administrator posted in 2005,
"It is not included in the presently distributed code version but will be implemented in vasp.5 most probably"
But I couldn't anything about that in this forum or vasp5 manual or google.
I wait for replies from anyone.
Let me know the link or the document related, please
Thank you in advance
<span class='smallblacktext'>[ Edited ]</span>
Relaxation with constrained bonds or anlges is possible?
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kjt0314
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Relaxation with constrained bonds or anlges is possible?
Last edited by kjt0314 on Fri Oct 21, 2011 5:14 am, edited 1 time in total.
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imcnab
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Relaxation with constrained bonds or anlges is possible?
There is an external optimizer that can do this called GADGET.
It can be obtained directly from its author:
Tomas Bucko
his email address is tomas.bucko AT univie.ac.at
best regards... Iain
It can be obtained directly from its author:
Tomas Bucko
his email address is tomas.bucko AT univie.ac.at
best regards... Iain
Last edited by imcnab on Wed Oct 26, 2011 12:40 am, edited 1 time in total.