errors in DMFT CTQMC solver

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

Moderator: bguster

Locked
pipidog
Posts: 19
Joined: Wed Apr 15, 2015 1:05 am

errors in DMFT CTQMC solver

Post by pipidog » Thu May 25, 2017 2:37 am

Hello all,

I performed a DFMT calculation with CTQMC solver. The calculation looks fine without any error message in Abinit.
However, when I run OmegaMaxEnt, I always got errors as shown below.
I've attached my input files (a test run, so set U=0). Can anyone give me any suggestion?

Thanks!

//---------------------
INPUT PARAMETERS:
data file: Gtau.dat
data file loaded
bosonic data (yes/[no]): no
imaginary time data (yes/[no]): yes
interactive mode ([yes]/no): no
show optimal alpha figures ([yes]/no): no
show lowest alpha figures ([yes]/no): no
show alpha dependant curves ([yes]/no): no


PREPROCESSING

fermionic Green function given in imaginary time
For a Green function given in imaginary time, the first two moments are required to obtain the Matsubara frequency Green function.
The program will try to extract those moments from the behavior of the Green function around tau=0 and tau=beta.
Number of imaginary time slices: 300
-G(0)-G(beta): 1
Not enough moments provided to define the real frequency grid. The program will try to extract moments from G(tau) around tau=0 and tau=beta.
no errors provided
using a constant error
COMPUTING MOMENTS
*** Error in `OmegaMaxEnt': free(): invalid size: 0x00000000017c8d60 ***
Aborted (core dumped)

Eu.in
The input file of abinit calculation
(3.24 KiB) Downloaded 262 times

OmegaMaxEnt_input_params.in
The input file of OmegaMaxEnt (remember ot rename to .dat)
(2.35 KiB) Downloaded 293 times

amadon
Posts: 46
Joined: Mon Aug 24, 2009 10:58 am

Re: errors in DMFT CTQMC solver

Post by amadon » Tue May 30, 2017 6:13 pm

Dear

Could you please post your Green's function file Gtau.dat ?
Best regards
Bernard
Bernard Amadon
CEA
France

Locked