[Wien] problem_boltztarp plotting

2018-04-01 Thread Jyoti Thakur
> -- > with regards > Jyoti Thakur Warm Regards --- Jyoti Thakur National Post-Doctoral Fellow, Department of Physics & Astrophysics, University of Delhi New Delhi-110007, (New Delhi) INDIA *always think +ve.* ___ Wien mailing

[Wien] Help:GaAs-wannier functions

2018-03-08 Thread Jyoti Thakur
0.0% 0+0k 0+0io 0pf+0w *error: command /home/manish/program/WIEN17/wannier90 -ppfailed* Please help us to proerly sort out of this problem. Thanx in advance Warm Regards --- Jyoti Thakur National Post-Doctoral Fellow, Department of Physics & Astrophysics, Universit

[Wien] Help: installation of Wannier90

2018-03-05 Thread Jyoti Thakur
[1]: Leaving directory '/home/manish/program/wannier90-2.1.0/src/obj' Makefile:16: recipe for target 'serialobjs' failed *make: *** [serialobjs] Error 2* Please help us to resolve this problem. Thanks in advance Warm Regards --- Jyoti Thakur National Post-Doctoral Fellow

Re: [Wien] wannier functions

2018-03-04 Thread Jyoti Thakur
Thank you for kindly response. Warm Regards --- Jyoti Thakur National Post-Doctoral Fellow, Department of Physics & Astrophysics, University of Delhi New Delhi-110007, (New Delhi) INDIA *always think +ve.* On 28 February 2018 at 11:45, Jyoti Thakur <jyoti...@gmail.com

[Wien] Fwd: XMCD_Optic_error

2018-03-04 Thread Jyoti Thakur
Respected Sir I am trying to run the XMCD calculations for simple case of bcc Fe. I saw in WIEN2k mailing list related to XMCD problems; https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07677.html I have followed these steps: 1) runsp_lapw -p 2) runsp_lapw -so -p after initso_lapw

[Wien] Fwd: wannier functions

2018-02-27 Thread Jyoti Thakur
/wannier90: line 167: wannier90.x: command not found 0.0u 0.0s 0:00.02 0.0% 0+0k 0+0io 0pf+0w *error: command /home/manish/program/WIEN17/wannier90 -ppfailed* Please help us to resolve this problem. Warm Regards --- Jyoti Thakur National Post-Doctoral Fellow, Department of Phy

[Wien] optimize problem

2014-04-25 Thread Jyoti Thakur
. The 2Doptimize.job file used by me for optimization is enclosed for reference. Please suggest me what changes in 2Doptimize.job should I made for non magnetic optimization? Thanks in advance. Warm regards -- -- Jyoti Thakur Research Scholar Department of physics kurukshetra university

[Wien] Nanowire_structure_file_help

2012-12-10 Thread jyoti thakur
structure file for this nanowires.Your help and support in this regard will accelerate my initial work of ph.d thesis. Jyoti Thakur -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121210/7811c788