[Pw_forum] Fermi surface

Dear PWSCF users. 1-I calculated the fermi surface of Po without spin-orbit Zval = 6.00 with nbnd=7, It works fine 2-considering spin-orbital interaction Zval = 16.0 ,nbnd= 24 i get error , i think this is related to nbnd =24 with three lines !! so I want to know the change of which pa

[Pw_forum] Fermi surface

Dear pwscf users, 1-I calculated the fermi surface of Po without spin-orbit Zval = 6.00 with nbnd=7, It works fine . 2-considering spin-orbital interaction Zval = 16.0 ,nbnd= 24 i get error , i think this is related to nbnd =24 with three lines !! so I want to know the change

[Pw_forum] sum selected PDOS sumpdos.x

Dear PWSCF users, I want to sum the pdos of selected atoms with sumpdos.x could anyone give me an example. Thanks in advance. Belabbes http://parsem.physics.auth.gr/belabbes.htm

[Pw_forum] Phonon partial density of state

Dear pwscf users, I want to calculate phonon partial density of state. Could you please tell me how to calculate them? thanks in advance! belabbes. http://parsem.physics.auth.gr/belabbes.htm

[Pw_forum] about projwfc.x

Dear all users, I work with QE 4.0.1 in cluster the pw.x work fine ,for projwfc.x I have use : [mpirun -np 4 projwfc.x -npool 4 < input ] , I have also try -npool 1 with (wf_collect=.true.) to save wavefunctions into a single directory) I got the following error: --