Dear Graeme,
Thanks for your kind help.
Its working perfectly fine now.
Regards
Vanaraj
Search found 6 matches
- Fri Jun 17, 2016 7:10 am
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 65334
- Thu Jun 16, 2016 7:28 am
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 65334
Re: Question about dosanalyze.pl
Please ignore previous DOSCAR.
I have uploaded new doscar and corresponding OUTCAR files for LORBIT=11.
Please try to get the d-band centre for 12th atom.
Thanks for your help!!!!
Regards
Vanaraj
I have uploaded new doscar and corresponding OUTCAR files for LORBIT=11.
Please try to get the d-band centre for 12th atom.
Thanks for your help!!!!
Regards
Vanaraj
- Wed Jun 15, 2016 5:36 am
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 65334
Re: Question about dosanalyze.pl
Hi Grame,
I have attached the DOSCAR file. Please let me know if any further information is required.
I have just changed the name of the attached file from DOSCAR to DOSCAR.txt but it is original file.
Regards
Vanaraj
I have attached the DOSCAR file. Please let me know if any further information is required.
I have just changed the name of the attached file from DOSCAR to DOSCAR.txt but it is original file.
Regards
Vanaraj
- Tue Jun 14, 2016 5:22 am
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 65334
Re: Question about dosanalyze.pl
Dear Greame,
When I run the script with dosanalyze.pl e=-25,20 d 11 it is giving following results,
Integrate from -25eV to 20eV.
Total DOS is zero.
So, Can you please send me the updated dosanalyze.pl script which can work with LORBIT=11 flag also.
Thanks,
Regards
Vanaraj
When I run the script with dosanalyze.pl e=-25,20 d 11 it is giving following results,
Integrate from -25eV to 20eV.
Total DOS is zero.
So, Can you please send me the updated dosanalyze.pl script which can work with LORBIT=11 flag also.
Thanks,
Regards
Vanaraj
- Tue Jun 14, 2016 4:36 am
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 65334
Re: Question about dosanalyze.pl
Thanks Graeme,
It's working now.
It's working now.
- Mon Jun 13, 2016 12:10 pm
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 65334
Re: Question about dosanalyze.pl
Dear Pradeep and Graeme, Can you please help me in editing the line " "usage: dosanalyze.pl [w=number widths at quarter-height to include] [e=emin,emax] <s,p,d,a (all)> <atom num(s)>\n";" in dosanalyze.pl programme for width=2.5, energy windoe from -25.0 to 20.0 and d projected s...