[Pw_forum] new in QE

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Wed Feb 11 16:10:35 CET 2015


Dear Timothy
There is plenty of tutorials here
http://www.quantum-espresso.org/tutorials/
which lead you through the basic and advanced features of QE. Take your time to read/watch them before asking.
If you have no good reasons to stick to old versions, use the newest version (5.1.1, in this moment). It is easier to give you some help if something 
goes wrong.
HTH
Giuseppe

On Wednesday, February 11, 2015 04:47:18 AM TIMOTHY UTO wrote:
> please am new in QE and am using QE 4.2.3. i was able to calculate BAND and DOS for Si. but not able to calculate the other properties. i need help
> on how to calculate the other properties and how to use a script in running the program instead of runing it one by one. please i will like to konw
> why we relax the system first before doing any calculation. thanks Uto Oghenekevwe Timothy
> Ph.D student
> University of Ibadan
> 
> 
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   Giuseppe Mattioli                            
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