Search found 2 matches

by skureshi
Mon Mar 04, 2019 5:50 pm
Forum: Bader
Topic: Problem while running bader charge Calculation
Replies: 8
Views: 5379

Re: Problem while running bader charge Calculation

Dear Graeme, Thanks for your prompt response. Well, I think it's memory problem only, because with lower grid I am also able to run the Bader analysis. If you don't mind can you please share the configuration of your laptop, you ran this analysis, specifically memory usage? This will help me to ask ...
by skureshi
Thu Feb 28, 2019 6:56 am
Forum: Bader
Topic: Problem while running bader charge Calculation
Replies: 8
Views: 5379

Re: Problem while running bader charge Calculation

I am having the same problem as mentioned by sgy002, At line 89 of file chgcar_mod.f90 (unit = 100, file = 'CHGCAR') Fortran runtime error: Bad real number in item 58996800 of list input. I tried the suggestion and I am already running on linux machine with node of 8GB memory but it is still giving ...