EPW Forum

Ok. I found the problem myself. It was just a version difference. ZG.x in QE7.2 does not
have that feature. I locally installed the latest version of ZG.x with which dependencies
directed to already installed QE7.2 and ZG_1.in finally worked! with no problem.

Hi, I found the problem but still dont know how to fix.

So apparently ZG.x does not recognize the ASDM = .true. because when i deleted it, ZG.x was completed.
So what could be the problem?

Best,

Ilhan

Hi There, I am trying the examples in the EPW site for the ZG calculations but this step $QE/ZG.x < ZG_1.in > ZG_1.out in the "Exercise 3b" gives an error: MPI processes distributed on 1 nodes 255098 MiB available memory on the printing compute node when the environment starts ...

Dear Marios,

Never mind the previous message. When i tried 0.2 again it worked! I can proceed with that.

Thanks a lot!

Best,

Ilhan

Hi, I am running ZG.x for a 3x3x3 CsPbI3 perovskite. There are 135 atoms. The input i used is below: &input flfrc='cspbi3.444.fc', asr='simple', amass(1)= 132.9054519, amass(2)= 207.2, amass(3)= 126.90447, atm_zg(1) = 'Cs', atm_zg(2) = 'Pb', atm_zg(3) = 'I', flscf = 'cspbi3.scf.in' T = 0.00, dim1 ...

Hi, -------------> I am getting this error message when I run epw.x in QE: ... ( 0.53830 0.56957 0.51766) : 0.97719 ------------------------------------------------------------------- WANNIER : 19.69s CPU 20.21s WALL ( 1 calls ...