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Author SHA1 Message Date
Iurii Timrov 0bc76d8100 Implementation of the new code hp.x to compute Hubbard U from DFPT. 
Iurii Timrov, Nicola Marzari, and Matteo Cococcioni,
Phys. Rev. B 98, 085127 (2018); arXiv:1805.01805
 2018-08-29 14:54:42 +02:00
Paolo Giannozzi 8c4a92cdc5 Second copy of "set_bgrp_index" replaced by generic routine "divide" 2017-12-23 22:28:53 +01:00
degironc ac32e0779d a more serious take on band parallelization in PHonon 
cgsolve_all parallelizes linear system solution over bands and distributes 
auxiliary working memory. in/out dpsi and d0psi arrays are not distributed 



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13819 c92efa57-630b-4861-b058-cf58834340f0
 2017-09-02 09:55:31 +00:00
giannozz e9e86b48af Routine computing preconditioning matrix made more general and self-contained. 
Initial computation and storage of "eprec" to be deleted.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12510 c92efa57-630b-4861-b058-cf58834340f0
 2016-06-21 08:23:33 +00:00
giannozz cabca0a6be Recently introduced and no longer needed hack removed. Cleanup: it is not a 
good idea to call "h_psi" a routine that does something related to but 
different from H\psi. Corrected a few grossly wrong comments.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12440 c92efa57-630b-4861-b058-cf58834340f0
 2016-05-28 20:36:34 +00:00
degironc fddd12aac1 try moving anothe one 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12024 c92efa57-630b-4861-b058-cf58834340f0
 2016-01-20 09:08:28 +00:00