[Pw_forum] flow-chart in PWSCF

S. K. S. sks.jnc at gmail.com
Wed Mar 17 11:52:50 CET 2010


    Dear All,

    http://cms.mpi.univie.ac.at/vasp/vasp/node199.html

   This link has a flow chart describing
    the algorithms used in VASP.
    Is there such a flow-chart in PWSCF also?
    If not, then I would like to know whether PWSCF
    follows the same flow-chart or not?
    I mean, PWSCF check energy convergence or
    density scf convergence or both?
    It would be really nice if  somebody send me a full
    flow chart  which has been used in PWSCF.

   With my best regards,
   Saha S. K.
   JNCASR
   R&D Assistant
   Bangalore
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