In data 05 aprile 2011 alle ore 00:27:10, Rose Mary <rose1988.mary at gmail.com> ha scritto: > I would like to know how do we find the total number of plane waves from > the output file of quantum espresso?Is it the term '* npwx = 1887' *for > the > following output file which has been given as one of the examples of
Dear Rose Mary, the number of plane waves depends (very weakly) on the k-point, while npwx is the maximum among all k-points. If you wish to know the number of pw at each point you can edit PW/hinit0.f90 to add a print statement after line 57, i.e.: IF ( nks > 1 ) WRITE( iunigk ) igk !line 57 write(*,*) "kpt,npw:", ik, npw best regards -- Lorenzo Paulatto post-doc @ IMPMC/UPMC - Universit? Paris 6 phone: +33 (0)1 44 27 74 89 www: http://www-int.impmc.upmc.fr/~paulatto/ previously (take note of the change!): phd student @ SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 www: http://people.sissa.it/~paulatto/
