dbceb6a013
Bug in fd_ef.f90 spotted by John Kendrick - fixes issue #202
2020-07-07 17:29:06 +02:00
e672094617
Since someone tried to use FD: calls to read_file_new and linking fixed.
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Fixes issue #191 (hopefully)
2020-06-08 18:58:03 +02:00
3b939a1c4a
These must also be updated so that they compile (but THEY DO NOT WORK, exactly as before)
2019-11-03 17:31:29 +01:00
5097e11ad8
Cleanup of unused stuff
2019-04-09 17:22:30 +02:00
88ef346c79
More removal of ftau: now is a local variable, obtained from ft, where
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useful (real-space symmetrization). Please verify!
2019-04-08 22:44:53 +02:00
e90f03133e
Following Uli Aschauer's example: uniform au to angstrom conversion constant
2018-08-23 22:09:15 +02:00
471201791c
Duplicated variable "outdir" deleted from module io_files. BEWARE: will break
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all external codes that rely on it (they shouldn't do that anyway)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12452 c92efa57-630b-4861-b058-cf58834340f0
2016-06-01 09:22:25 +00:00
644f44d193
Phonon (hopefully) fixed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11986 c92efa57-630b-4861-b058-cf58834340f0
2016-01-14 16:10:11 +00:00
95600c8582
More cleanup of parallel modules: mp_global no longer contains references to
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variables for the "world" MPI communicator. The latter are to be found in
world_comm instead. mp_global should be used only to start and to end the
various parallelization levels. Many small but harmless changes: a few
variables removed or moved to another module in most cases.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10558 c92efa57-630b-4861-b058-cf58834340f0
2013-10-27 09:09:10 +00:00
48a7998771
format fix
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10407 c92efa57-630b-4861-b058-cf58834340f0
2013-07-31 12:23:41 +00:00
072d98dddc
compute Z*, dielectric and Raman tensor with finite differences of finite electric fields (a la P. Umari and A. Pasquarello
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10313 c92efa57-630b-4861-b058-cf58834340f0
2013-06-10 23:17:01 +00:00
Paolo Giannozzi