quantum-espresso

Commit Graph

Author	SHA1	Message	Date
giannozz	32c1159045	Raman cross sections calculated by phcg.x are in A^4/amu units git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1664 c92efa57-630b-4861-b058-cf58834340f0	2005-02-24 18:11:03 +00:00
giannozz	3539e0b514	calculate Raman coefficients in A^4/amu units (hopefully) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1656 c92efa57-630b-4861-b058-cf58834340f0	2005-02-23 13:10:48 +00:00
giannozz	2e578b16b1	Raman with finite differences should work again git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1555 c92efa57-630b-4861-b058-cf58834340f0	2005-01-12 14:19:42 +00:00
sbraccia	7b022ce276	Order in wavefunctions extrapolation made independent from the order in potential extrapolation. The input keyword "potential_extrapolation" has been substituted by two separate keywords "pot_extrapolation" and "wfc_extrapolation". Default values are still 'atomic' for the former and 'none' for the latter. Documentation updated. C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1551 c92efa57-630b-4861-b058-cf58834340f0	2005-01-10 06:56:14 +00:00
sbraccia	6a4140479e	Old parallel variables (such as me mypool) removed from Gamma. C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1422 c92efa57-630b-4861-b058-cf58834340f0	2004-11-04 12:25:16 +00:00
giannozz	1648ab6bf2	Patches from Axel Kohlmayer: - iotk_scan in iotk_module had a mixed up 'intent' statement. - sun ultra fire 3 compiler warnings - cleanup in filename length (brought to 256) - cleanup in include files git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1399 c92efa57-630b-4861-b058-cf58834340f0	2004-10-26 09:32:48 +00:00
giannozz	d73754ed9e	Old Raman code renamed to avoid confusion git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1171 c92efa57-630b-4861-b058-cf58834340f0	2004-08-25 16:44:46 +00:00

7 Commits