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Commit Graph

5 Commits

Author SHA1 Message Date
Oleg E. Peil
f7fddb1f5c Replaced path to VASP dir to path to VASP executable (GK) 2016-12-31 14:49:05 +01:00
Oleg E. Peil
6d1891a99a Fixed problems with SC script
* Fixed obvious bugs:
  -- forgotten 'import re'
  -- import user script by name from string
  -- 'import converter' instead of 'import plovasp...'

* Number of iterations provided by the bash-script now has
an affect.

* Added a possibility to specify an alternative cfg-file
2016-05-10 11:47:58 +02:00
Oleg E. Peil
9112587d18 Fixed a path to pytriqs in shell scripts
Now 'pytriqs' is invoked with an absolute path to the current
TRIQS installation. This ensures that the scripts will call
a compatible version of 'pytriqs'.
2016-03-24 19:57:49 +01:00
Oleg E. Peil
428232a27f Fixed a typo in 'vasp_dmft.bash.in' 2016-03-24 14:37:03 +01:00
Oleg E. Peil
daf40074b2 Added a charge self-consistency script
The charge self-consistency script is run from bin directory.
The corresponding Python script 'sc_dmft.py' has been modified
accordingly.
2016-03-11 18:49:29 +01:00