getng.F90:199:WARNING

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
mosa
Posts: 1
Joined: Mon Nov 25, 2013 3:13 pm

getng.F90:199:WARNING

Post by mosa » Sun Sep 14, 2014 6:32 pm

Dear Abinit users and developer,
I am new user of ABINIT package,I would like to study the electronic properties of organic-inorganic hybrid materials in the determination of the cutoff energy it appear a warning from the FFT grid. I do not know the cause of this warning.

getng.F90:199:WARNING
The second and third dimension of the FFT grid, 0 0 were imposed to be multiple of the number of processors for the FFT, 1
For input ecut= 1.999000E+01 best grid ngfft= 288 288 108
max ecut= 2.046535E+01

==== FFT mesh ====
FFT mesh divisions ........................ 288 288 108
Augmented FFT divisions ................... 289 289 108
FFT algorithm ............................. 401
FFT cache size ............................ 16
Attachments
hgh.in
Input
(4.31 KiB) Downloaded 202 times
log.Doc
Log file
(40.32 KiB) Downloaded 208 times
hgh.out
(15.92 KiB) Downloaded 261 times

Locked