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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ègaux en droits. Les distinctions sociales ne peuvent être fondèes que sur l'utilitè commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libertè, la propriètè, la sùretè et la rèsistance à l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.matti...@ism.cnr.it> http://www.ism.cnr.it/english/staff/mattiolig ResearcherID: F-6308-2012 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum