quantum-espresso

Commit Graph

Author	SHA1	Message	Date
giannozz	02ce4df8d6	make.sys => make.inc. All other codes using make.sys should modify their build mechanism accordingly. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12539 c92efa57-630b-4861-b058-cf58834340f0	2016-06-25 07:26:50 +00:00
timrov	49b7ca865e	1) TDDFPT + hybrids must be used with d0psi_rs=.true. (treatment of the dipole in the real space). This is explained in Ge et al., CPC 185, 2080 (2014). Upgrading the examples and putting a warning in the code. 2) In my last commit (r12487) I wrote a misleading comment: instead of igk(1:3) and igk_k(1:3,ik) there is of course igk(ig) and igk_k(ig,ik), where ig runs over G vectors. In the code everything is fine (only the comment was wrong). git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12489 c92efa57-630b-4861-b058-cf58834340f0	2016-06-13 10:52:11 +00:00
sbinnie	32f1e16c45	Merged espresso-BANDS into trunk. All the changes are the introduction of EXX into turboTDDFT. Some files in trunk seemed to have gained erroneous (and blank) svn:merginfo tags. These have been removed. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9910 c92efa57-630b-4861-b058-cf58834340f0	2013-01-31 16:03:51 +00:00

Author

SHA1

Message

Date

giannozz

02ce4df8d6

make.sys => make.inc. All other codes using make.sys should modify their build

mechanism accordingly.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12539 c92efa57-630b-4861-b058-cf58834340f0

2016-06-25 07:26:50 +00:00

timrov

49b7ca865e

1) TDDFPT + hybrids must be used with d0psi_rs=.true.

(treatment of the dipole in the real space).
   This is explained in Ge et al., CPC 185, 2080 (2014). 
   Upgrading the examples and putting a warning in the code.
2) In my last commit (r12487) I wrote a misleading comment:
   instead of igk(1:3) and igk_k(1:3,ik) there is of course
   igk(ig) and igk_k(ig,ik), where ig runs over G vectors.
   In the code everything is fine (only the comment was wrong).


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12489 c92efa57-630b-4861-b058-cf58834340f0

2016-06-13 10:52:11 +00:00

sbinnie

32f1e16c45

Merged espresso-BANDS into trunk. All the changes are the introduction of EXX into turboTDDFT. Some files in trunk seemed to have gained erroneous (and blank) svn:merginfo tags. These have been removed.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9910 c92efa57-630b-4861-b058-cf58834340f0

2013-01-31 16:03:51 +00:00

3 Commits