~siesta-maint/siesta/max-r2

Viewing all changes in revision 635.

  • Committer: Alberto Garcia
  • Date: 2017-09-21 12:40:10 UTC
  • mfrom: (587.3.3 siesta)
  • Revision ID: albertog@icmab.es-20170921124010-ghncsalhel4j71pk
Use LRFC extension for linear-response FC file

* Use the extension 'LRFC' for the force-constant file produced by the
  linear-response subsystem.    

* Update the BN_linres example.

Other changes to the code (Thanks to Sergio Illera):

* linresscf.f: new call to dhinit.
               dDscf and dEscf set to zero for restarting purposes.

* dhinit.f: deleted dDscf and dEscf arguments, as they are not needed.




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