User Activity
- Modified a comment on discussion Elk Users on Elk
-
Posted
a comment
on
discussion Elk Users
on
Elk
Dear Michael, I am posting my problem below-(elk.in file)I did it for tasks 0 first,then 1 20,but no changes there when I applied different field like 4T,8T,30T=0.58309038(mag unit in the following problem) tasks 1 20 ngridk 4 4 4 sppath '../../../species/' nempty 30 cmagz .true. spinorb .true. spinpol .true. chgexs 0.1 scale 8.0577920904 plot1d 5 200 0.0000000000 0.0000000000 0.0000000000 0.5000000000 0.5000000000 0.5000000000 0.0000000000 0.5000000000 0.5000000000 0.0000000000 0.0000000000 0.0000000000...
-
Posted
a comment
on
discussion Elk Users
on
Elk
Dear Michael, The elk.in file is given below-I did it with tasks 0 fierst,I applied it for 4T,8T,30T=(0.58309038 mag unit in the following problem etc) tasks 1 20 ngridk 4 4 4 sppath '../../../species/' nempty 30 cmagz .true. spinorb .true. spinpol .true. chgexs 0.1 scale 8.0577920904 plot1d 5 200 0.0000000000 0.0000000000 0.0000000000 0.5000000000 0.5000000000 0.5000000000 0.0000000000 0.5000000000 0.5000000000 0.0000000000 0.0000000000 0.0000000000 -0.5000000000 0.0000000000 0.0000000000 avec 0.5773502692...
-
Posted
a comment
on
discussion Elk Users
on
Elk
tasks 1 20 ngridk 4 4 4 sppath '../../../species/' nempty 30 cmagz .true. spinorb .true. spinpol .true. chgexs 0.1 scale 8.0577920904 plot1d 5 200 0.0000000000 0.0000000000 0.0000000000 0.5000000000 0.5000000000 0.5000000000 0.0000000000 0.5000000000 0.5000000000 0.0000000000 0.0000000000 0.0000000000 -0.5000000000 0.0000000000 0.0000000000 avec 0.5773502692 0.0000000000 2.3810193871 -0.2886751346 0.5000000000 2.3810193871 -0.2886751346 -0.5000000000 2.3810193871 atoms 2 : nspecies 'Sb.in' : spfname...
-
Posted
a comment
on
discussion Elk Users
on
Elk
tasks 1 20 ngridk 4 4 4 sppath '../../../species/' nempty 30 cmagz .true. spinorb .true. spinpol .true. chgexs 0.1 scale 8.0577920904 plot1d 5 200 0.0000000000 0.0000000000 0.0000000000 0.5000000000 0.5000000000 0.5000000000 0.0000000000 0.5000000000 0.5000000000 0.0000000000 0.0000000000 0.0000000000 -0.5000000000 0.0000000000 0.0000000000 avec 0.5773502692 0.0000000000 2.3810193871 -0.2886751346 0.5000000000 2.3810193871 -0.2886751346 -0.5000000000 2.3810193871 atoms 2 : nspecies 'Sb.in' : spfname...
-
Posted
a comment
on
discussion Elk Users
on
Elk
Dear Users, Can you please tell me how to upgrade elk v.5.2.10,I am using elk v 4.3.06,in case I need to uninstall my current version how to do it and how to install the new one.
-
Posted
a comment
on
discussion Elk Users
on
Elk
Dear Eleni, Can you please tell me how to upgrade elk v.5.2.10,I am using elk v 4.3.06,in case I need to uninstall my current version how to do it and how to install the new one.
-
Posted
a comment
on
discussion Elk Users
on
Elk
Dear Users, Can you please tell me how to upgrade elk latest version,I am using 4.3.06.The command "bfinite" .true. is not working in this version,showng error bar.
Personal Data
- Username:
- debarati123
- Joined:
- 2018-07-08 12:42:25
- Location:
- VARANASI / India
- Gender:
- Female
Projects
- No projects to display.