In Castep Module of Material studio software, if I go to analysis tab I am unable to access the PDOS option of the Density of states tab.I can only access the total DOS however PDOS is disabled. Does anyone know how to enable it?
Dear Bimenyimana,
When you are checking [ ] Density of state in the properties tab.. please check [ ] also Calculate PDOS.. then, when you want to display the result of PDOS after the run complete successfully .. go to analysis .. then density of state ... then partial.. as shown in the figure..
good luck
First thing is while doing DOS calculation there is a option for PDOS click it before calculation. Secondly If you have already given PDOS calculation and unable to access it, before doing PDOS analysis you should click on the .xsd document and then go to dos analysis. If the atomistic document is not activated in the working window it will not activate PDOS option. Hope this will solve your problem.
Resulting structure (/xsd file) must be active for the PDOS option in DOS menu to be selectable
After calculation, select/click the generated reciprocal lattice structure and then go to analysis menu for active PDOS option...........
I also faced the same problem and finally found the reason why PDOS was disabled. At first, you do not change the file name (Usually, the file name is '3D Atomistic CASTEP Properties' after completing the program successfully and keep this name) then go to xsd file then go to analyze option and select Density of State. Hopefully, PDOS option will be active. Theogene Bimenyimana
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