Yes, there is. Look at the end of this file: your-QE-6.8/PP/Doc/INPUT_PROJWFC.txt HTH Giuseppe Quoting Satyasiban Dash ph19d005 <[email protected]>:
Dear Users I used qe 6.8 to calculate projwf and pdos contain data for each indivisual orbital and total density of state for that prticular orbital. Now is there any way to distinguish sub oorbital like px,py,pz from those coloums. Thank You. Satya Research Scholar IIT Madras
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]> _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
