I do no thave it, but you can look at input file file for it in
atom_table.txt in Pseudo\atom\Contrib directory (for this you should
compare atom tutorials).
Also maybe you can find it in previous siesta mailshots.
Maybe someone else will be able to send it.
Pls. post it here and results of tests
complete, not compare sorry
2014-07-26 16:07 GMT+04:00 Максим Арсентьев ars21031...@gmail.com:
I do no thave it, but you can look at input file file for it in
atom_table.txt in Pseudo\atom\Contrib directory (for this you should
compare atom tutorials).
Also maybe you can find it in previous
Dear Maxim:
I'm so sorry to disturb you again,but I've completed the kpoint grid
convergence with a reletive high value of Meshcutoff just follow your
words.Then I've got many FORCE_STRESS files related to different kpoint
grid.In these files the first four lines is just as follows：
it is *.FA file contains forces (eV/Ang)
Best wishe, Maxim.
2014-07-26 17:00 GMT+04:00 邵德喜 dxshao...@gmail.com:
Dear Maxim:
I'm so sorry to disturb you again,but I've completed the kpoint grid
convergence with a reletive high value of Meshcutoff just follow your
words.Then I've got
Thanks very much.Is it Spanish? I can't understant it ,but I 'll try my
best to catch it .
Dexi Shao
2014-07-26 21:24 GMT+08:00 Максим Арсентьев ars21031...@gmail.com:
more easily to take only max force for plot from output. See pages 79-80
of file attached - it can help you to choose these
It's in French.
Best wishes, Maxim.
2014-07-26 17:36 GMT+04:00 邵德喜 dxshao...@gmail.com:
Thanks very much.Is it Spanish? I can't understant it ,but I 'll try my
best to catch it .
Dexi Shao
2014-07-26 21:24 GMT+08:00 Максим Арсентьев ars21031...@gmail.com:
more easily to take only max
