Dear Bilal Ahmad
I’m afraid you should ask such questions to a supervisor or a skilled
colleague. This mailing list can help you only when one of your
calculations goes wrong, for trivial or non-trivial reasons. In that
case, provided that you post the input and all details of the
calculation, the community can at least try to help you.
If you have no other choice, then you may study all the tutorials in
the QE site and figure out how it works.
HTH
Giuseppe
Bilal Ahmad Bhat <[email protected]> ha scritto:
Dear sir,
What are the important parameters required for doing computational
calculation of advanced materials like M o Fs What are important parameters
we should keep in mind while doing SCF and other calculation of Mof
With regards,
Bilal Ahmad
GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
Via Salaria Km 29,300 - C.P. 10
I-00015 - Monterotondo Scalo (RM)
Mob (*preferred*) +39 373 7305625
Tel + 39 06 90672342 - Fax +39 06 90672316
E-mail: <[email protected]>
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