quantum-espresso

Commit Graph

Author	SHA1	Message	Date
degironc	5cfeb5079b	10 feb 2003 lda+u stuff modified in order to work also for non-d localized orbitals. Hubbard_l=0,1,2,3 are now possible. It has been tested that calculations done for Hubbard_l=2 are reproduced. More testing on non-d material needed. SdG + Gabriele Balducci git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@57 c92efa57-630b-4861-b058-cf58834340f0	2003-02-10 08:58:33 +00:00
giannozz	d852392cab	module allocate, calls to mallocate, mfree removed pointers replaced by allocatable whenever possible git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@56 c92efa57-630b-4861-b058-cf58834340f0	2003-02-07 16:04:36 +00:00
giannozz	ac9f2144c0	O-sesame git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0	2003-01-19 21:58:50 +00:00

Author

SHA1

Message

Date

degironc

5cfeb5079b

10 feb 2003 lda+u stuff modified in order to work also for non-d

localized orbitals. Hubbard_l=0,1,2,3 are now possible.
             It has been tested that calculations done for Hubbard_l=2
             are reproduced. More testing on non-d material needed.
             SdG + Gabriele Balducci


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@57 c92efa57-630b-4861-b058-cf58834340f0

2003-02-10 08:58:33 +00:00

giannozz

d852392cab

module allocate, calls to mallocate, mfree removed

pointers replaced by allocatable whenever possible


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@56 c92efa57-630b-4861-b058-cf58834340f0

2003-02-07 16:04:36 +00:00

giannozz

ac9f2144c0

O-sesame

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0

2003-01-19 21:58:50 +00:00

3 Commits