quantum-espresso

Commit Graph

Author	SHA1	Message	Date
dalcorso	1712244c9d	Dynamical matrix in xml format. Part 1: ph writes. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6949 c92efa57-630b-4861-b058-cf58834340f0	2010-08-03 09:26:47 +00:00
giannozz	3a98e2d9d4	More patches from Axel: - correct an unquoted string (iosys) in PW/input.f90:483 (this was the cause of tonight compilation failere) - correct a few incorrect format strings - make more use of the constants module and thus provide more consistent units. NOTE, this has some numerical changes in the outputs, as in some places rather low precision and inconsistent numbers were used for unit conversion. - convert all(?) single precision constants to double using the attached little perl program. exceptions: efermi.f90 (as it is supposed to be rewritten anyways), plotbands.f90 (it uses single precision everywhere, which may result in saving a significant amount of memory, so i converted the two double precision constants to single). Unused routine 'set_fft_grid' removed git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3602 c92efa57-630b-4861-b058-cf58834340f0	2006-12-14 08:53:47 +00:00
giannozz	f533b052d5	dbl => DP (defined as previously dbl was) syntax for declarations: real(DP), without "kind=" git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2135 c92efa57-630b-4861-b058-cf58834340f0	2005-08-28 14:09:42 +00:00
giannozz	7b1936bcd4	Minor changes to printout of Raman coeffcients git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1876 c92efa57-630b-4861-b058-cf58834340f0	2005-05-18 17:47:38 +00:00
giannozz	a1fd63174a	- Check on consistency of input flags - Raman tensor in A^2 git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1814 c92efa57-630b-4861-b058-cf58834340f0	2005-04-19 10:45:36 +00:00
giannozz	e03cb4b5d7	Raman calculation with 2nd-order response by Michele Lazzeri added (temporarily together with phonon) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1677 c92efa57-630b-4861-b058-cf58834340f0	2005-03-04 17:46:02 +00:00

6 Commits