After several hours also it is written just:
Maps version 3.36
Not enough known energies to fit CE
in the file maps.log
and in the directory where I am testing (mmaps_test), it produces following files as:
mmaps_test1$ ls
atoms.out lat.in maps_is_running maps.log vasp.wrap
without any other output files or update, or error message.
So, I am not sure whether I am following correctly!
And how and where am I supposed to have/manage ezvasp.rc file during this if needed?
After I let maps -d & command for about a week also, the maps.log writes:
Maps version 3.36
Not enough known energies to fit CE
with just two more files: maps_is_running and atoms.out are written without any further outputs. What do I need to do to fix this problem?
Further, my .ezvasp.rc file looks as:
#!/bin/csh #enter name of vasp executable here
set VASPCMD="/HOME/vasp-pinnacle" #enter the directories containing the pseudopotentials here
set POTLDA="/usr/local/lib/pot_lda"
set POTGGA="/usr/local/lib/pot_gga"
set POTPAWLDA="/usr/local/lib/paw_lda"
set POTPAWGGA="/usr/local/lib/paw_gga"
set POTPAWPBE="/HOME/pseudos/PBE"
I want to know if I am using PAWPBE pseudo, I just need to set the path for this pseudo and comment/ignore other, is not it? And within the specified path (for instance: /HOME/pseudos/PBE), how should the files look? Here inside PBE dir, I have several directories (with atoms name) and then POTCAR files within each. And where do I need to have this .ezvasp.rc file to be?
Thank you very much for your reply. I am simply following from the page 3 of "The Alloy Theoretic Automated Toolkit: A User Guide" arXiv version for running maps.
As I use both the commands, it gives: