ABINIT Discussion Forums

Dear All users
I am one of ABINIT users, I try to download a pseudo file for Ag from ABINIT website several times, but I couldn't,
Would you please onebody send a LDA_FHI pseudopotential file for Ag atom to me.

Thanks in advance

Dear all During the GW calculation i received the strange ERROR: size_goed_fft : ERROR- nbest = 65537 is larger than any allowable FFT Does anyone knows the origin of this error? My input, output and log file are attached to this e-mail. Any suggestions will be appreciated thanks

Dear all users I am working on a graphene sheet by ABINIT 6.6.1 version. During the GW calculations my program will be stopped without any ERROR in the log or output file. But in the ERROR file i received the strange message below: ERROR: 0032-160 Too many communicators (2046) in MPI_Comm_create, ta...

Daer all users I applied the GW-correction on the graphene sheet but i received a strange letters in the output file like below but when i changed the ngkpt this error was disappeared. Does someone knows whats is the reason of that? Why this error will be appeared only for some k-mesh? the part of m...

Dear all users As every one knows the band structure of graphene has a touching in the cone point (Dirac point) that this touching should be preserved by GW correction. I applied the GW approximation on the graphene sheet. when i apply the GW on the normal hexagonal cell of graphene with two atom in...

Daer all users I apply the GW-correction on the graphene sheet but i have a strange letters in the part of GW-energy. Does someone knows whats is the reason of that? my input file is as below: # graphene sheet # Calculation of the G_0 W_0 corrections ndtset 3 # Dataset1: usual self-consistent ground...

Dear users I have a problem on GW correction for Poly para phenylene. The program stops at the last stage (calculation of GW correction-optdriver: 4) but there is no ERROR message in the log file. The end of an output file is as below: " rdkss : COMMENT - Note that the test on the orthogonaliza...