Commits · 53094b88524678b5e4b26de3060fbce6ca0b60ac · qbox / qbox-public

17 Sep, 2014 1 commit

Fixed use of lower part of the dynamical matrix. · 53094b88

Added use of the symmetrized dynamical matrix.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1542 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Sep 17, 2014

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02 May, 2014 5 commits
- fixed typo in dynmat arguments · ff1ef928
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1460 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 02, 2014
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- use LAPACK function dsyev · c43c9ee1
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1459 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 02, 2014
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- use LAPACK function dsyev · c688e23a
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1458 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 02, 2014
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- fixed source path · 0fc8d558
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  Francois Gygi committed May 02, 2014
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- fixed scalapack call · 82a3d2ef
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  Francois Gygi committed May 02, 2014
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24 Apr, 2014 1 commit
- Modified output: print MSD value only, not step index · 9e542061
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1453 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Apr 24, 2014
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09 Apr, 2014 1 commit
- add multifile functionality · b550b87c
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1452 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 09, 2014
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25 Feb, 2014 1 commit
- upf2qso translation program · 5d871973
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1434 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Feb 25, 2014
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10 Jan, 2014 1 commit
- added -last option · 945ae12a
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  Francois Gygi committed Jan 10, 2014
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05 Dec, 2013 5 commits
- added utility shell script · 9f2b5750
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  Francois Gygi committed Dec 05, 2013
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- added plot scripts · b7768b66
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```
  Francois Gygi committed Dec 05, 2013
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- updated for multiple input files · 97f42347
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  Francois Gygi committed Dec 05, 2013
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- modified to first fold atoms into the WS cell · cb6d8a38
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1416 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 05, 2013
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- reorganized utility scripts · 82b152b6
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  Francois Gygi committed Dec 05, 2013
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24 Oct, 2013 1 commit

Fixed odd numbered nx,ny,nz case. · 07a56a55

Added test at end verifying that the numerical integral of exp(ikR) is
zero for |R| < max(nx,ny,nz), except for R=0.

git-svn-id: http://qboxcode.org/svn/qb/trunk@1396 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 24, 2013

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17 Oct, 2013 2 commits
- modified to accumulate kpoints contributions and · 8bd7db33
```
consider spin


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```
  Francois Gygi committed Oct 17, 2013
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- Qbox DOS utilities · 3f6f1b1e
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```
  Francois Gygi committed Oct 17, 2013
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21 Apr, 2013 1 commit
- (note: duplicate of trunk/src version) · 0bd937ab
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git-svn-id: http://qboxcode.org/svn/qb/trunk@1298 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 21, 2013
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01 Dec, 2010 1 commit

Initial revision · 2a632885


git-svn-id: http://qboxcode.org/svn/qb/trunk@834 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Dec 01, 2010

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17 Nov, 2010 2 commits
- Added copyright, modified comments · fde6f113
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  Francois Gygi committed Nov 17, 2010
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- Corrected comments and README file for new command line arguments · fffa636c
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  Francois Gygi committed Nov 17, 2010
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09 Nov, 2010 2 commits

initial revision · 45bc8761


git-svn-id: http://qboxcode.org/svn/qb/trunk@829 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 09, 2010

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initial revision · 5a09bfec


git-svn-id: http://qboxcode.org/svn/qb/trunk@828 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 09, 2010

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