[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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