[Pw_forum] Doubt in input file

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Tue Aug 2 19:47:33 CEST 2011


Hi All
While doing fully relativistic calculations one has to  mention "noncolin= .TRUE., lspinorb= .TRUE.," in the scf input. If then I proceed to do nscf  calculations for DOS then should I mention these to variables again in the input? 
Please suggest.

With thanks and regards

Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110802/9e9764de/attachment.html>


More information about the users mailing list