quantum-espresso/NEB
sclauzer 70c9666102 Reverting to the old behaviour (v5.0.1 and earlier) of the path initialization as the default.
A warning is issued when atoms move more than 1/2 alat between two consecutive input images.
The usage of periodic replicas can be activate with the new option "minimum_image".
Documentation and user guide updated.

BTW, there are some undocumented parameters in namelist &path, such as fixed_tan.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10302 c92efa57-630b-4861-b058-cf58834340f0
2013-06-07 10:04:56 +00:00
..
Doc Reverting to the old behaviour (v5.0.1 and earlier) of the path initialization as the default. 2013-06-07 10:04:56 +00:00
examples Deprecated syntax of CELL_PARAMETER card updated 2013-01-16 10:28:06 +00:00
src Reverting to the old behaviour (v5.0.1 and earlier) of the path initialization as the default. 2013-06-07 10:04:56 +00:00
tools NEB has new dir structure. Doc is not complete. 2011-08-12 08:29:45 +00:00
Makefile small correction. 2012-08-24 12:59:42 +00:00