Re: [QE-users] error executing matdyn.x

2018-03-22 Thread Lorenzo Paulatto
If neither of the suggestions in the link helped, the last resort is to increase the value of the parameter nx in PW/src/wsweight.f90 In extremely rare cacse the default nx=2 may not be enough to find the correct Wigner-Seitz cell (the Brillouin zone actually, in this case) try to set nx=3 lik

[QE-users] error executing matdyn.x

2018-03-21 Thread Hari Paudyal
Dear PWSCF users/experts, While calculating phonon for few different pressures (for instance, 26 GPa, 28 GPa, 30 GPa, 32GPa ) of my system, first I performed q2r.x calculation and it successfully read force constant from the file. After that when I was performing matdyn.x calculation, I found the