quantum-espresso

Commit Graph

Author	SHA1	Message	Date
paulatto	467b613351	Iron PAW dataset that, for some misterious reason, was not working anymore tenatively fixed. LP git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6941 c92efa57-630b-4861-b058-cf58834340f0	2010-08-02 09:30:07 +00:00
paulatto	1b729b18f6	Typo git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6368 c92efa57-630b-4861-b058-cf58834340f0	2010-02-08 14:53:42 +00:00
paulatto	1b2ad3c4ab	Updated and fixed PAW library input, a few additions to the README file and to the plot_dlog script. Newly introduced checks about negative charge should be always respected now. LP git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6367 c92efa57-630b-4861-b058-cf58834340f0	2010-02-08 14:51:09 +00:00
paulatto	fe3e149df1	previous versione of the Fe pseudopotential was not working correctly in some random cases for some not very well undestood reason. This works fine and is considerably softer. Thanks to Dario Alf�� who pointed it out and helped fixing it. LP git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5349 c92efa57-630b-4861-b058-cf58834340f0	2009-01-13 17:30:39 +00:00
paulatto	b622dcc6c0	Some of the files contained dos-style line terminations that can confuse qe compiled with xlf. LP git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5238 c92efa57-630b-4861-b058-cf58834340f0	2008-10-24 09:46:28 +00:00
paulatto	bd3d214bc5	bad grammar LP git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5168 c92efa57-630b-4861-b058-cf58834340f0	2008-09-03 19:20:02 +00:00
paulatto	8594de8f14	Added a few example for PAW pseudopotential generation; a few examples are ported from paw-gen-test (which I will remove later), and have been prepared bu ADC and Guido Fratesi, some other are new. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4835 c92efa57-630b-4861-b058-cf58834340f0	2008-04-24 13:07:13 +00:00

7 Commits