ABINIT Discussion Forums

Dear Matthieu:
Thank you very much. I figured out that even "cut3d" can create the .xsf output from DEN file. I also tested the ab2xsf the way you suggested. Structure visualization works either way.

Dear all:
I used ab2xsf to read abinit input file in the following format:
ab2xsf < file.in > trialabinittoXCrys.xsf;
where file.in is abinit input file.

But trialabinittoXCrys.xsf is empty. Any suggestions? Thank you for your input.

Hello everyone
Is this the bug present in abinit?

Hello everyone!
I still could not solve the problem. Could you please help me resolve this issue? Thank you

Dear jmb, 1) I configured with command "./configure --with-config-file=./build.ac" where build.ac is: _____________________________________________________________________________ enable_exports="yes" enable_pkg_check="yes" enable_gw_dpc="yes" enable_mpi="...

Hi everyone, I got the following error message after I ran "make multi multi_nprocs=8". However ./configure went well. I would be grateful for suggesting what the following error message indicates: checking for linker flag to name executables... configure: error: Could not determine flag t...

I repeated the process as suggested; Now it is working. Thank you jmb for your "recipe".

Dear jmb, trebor and all I exactly followed the steps as mentioned above but after running for sometime I got the following error message: mpiexec noticed that process rank 0 with PID 2333 on node "PC_NAME" exited on signal 11 (Segmentation fault). Could you please tell me what is going wr...

Dear all For Ferromagnetic moment calculation I changed the "tldau_1.in" given in tutorial input as follows. #Spin nsppol 2 #nspden 2 #nspinor 1 spinat 0 0 1 0 0 1 0 0 0 0 0 0 #Parameters nstep 50 ecut 15 pawecutdg 30 iscf 17 toldfe 1.0d-5 nband 40 occopt 1 ########################for roug...

Hello,
Yes, your answer completely makes sense to me. I will try that. Thank you very much!

Dear casjxm and everyone
I am also having the same problem. I didn't find the word "Calculated" in cut3d as required by gz2.py.
I will be grateful if anyone gives me the answer on how to calculate "magnetic moment" in abinit?
Thank you in advance!

There is no any word "Calculated" in cut3d file. So gz2.py can't find it.

Hello Everyone
I am wondering whether there is a way to find an estimate of the time period
required for running input file in abinit before I actullay make the run? Thank you.

Hi
Thank you very much for the reply.

Hi everybody I am a new user of Abinit and I am trying to get DOS for NiO. I added following lines prtdos 3 natsph 4 iatsph 1 2 3 4 ratsph 3.1 3.1 2.8 2.8 to the input file "tldau_3.in". But I got weird graph as shown. I will be grateful if some body help me in this regard. Thank you, lams...