SIESTA+ESM
SIESTA+ESM
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SIESTA+ESM distribution is a patch file, currently support SIESTA version 2.0.2 and 3.1. This program does NOT include SIESTA source code.
Package for Siesta-3.1
- siesta-3.1_esm_v1.05.tar.gz version 1.05 (includes bug fix for bc2 condition, siesta-3.1 support, 2012/06/14)
Package for Siesta-2.0.2
- siesta2.0.2_esm_v1.05.tar.gz version 1.05 (bug fix release, 2012/06/14)
SIESTA+ESM support
Yoshinari TAKIMOTO
Change Logs
- Version 1.05 [2012-06-14]
- (Fix) problem in the boundary condition 'bc2' due to integer casting.
- Version 1.04 [2009-11-05]
- (Fix) problem in output file when ESM.ZeroAt is set to 'left'
- Version 1.03 [2009-09-10]
- (Fix) problem in column two of bc#.ESM file (output wrong magnitude)
- Version 1.02 [2009-07-09]
- (Fix) fixed grid point problem in potential output files
- Version 1.01 [2009-07-02]
- (Fix) minor changes to fix gfortran compilation warnings
- Version 1.00 [2009-06-25]
- (New) Initial release version for distribution
- Version 0.13 [2009-05-29]
- (Fix) fixed io_assign error in SCF
- (Fix) fixed file I/O problem
- Version 0.12 [2009-05-21]
- (Fix) bug in poison.F, CG array bounds
- Version 0.11 [2009-05-07]
- (Fix) bug in MPI file I/O
- (Fix) bug in FFT routine
- (Fix) bug in compilation without -DGRID_DP option
- Version 0.10 [2009-04-30]
- (Fix) MPI bug fix on writing out .ESM file
- Version 0.09 [2009-04-17]:
- (Chg) Changed output potential format
- Version 0.08 [2009-04-09]:
- (New) Let user to change the ESM origin.
- Version 0.07 [2009-03-24]:
- (New) Added README file
- (New) Added the electron barrier feature.
- Version 0.06 [2009-03-23]:
- (New) Internal initial release version after various bug fixes.