Dear Sir and wien2k experts
Thanks for your reply. The path of my wien2k main directory is
/opt/wien. According to the wien2triqs manula I have copied file
case.cf_f_mm2,case.cf_p_cubic, case.indmftpr, run_triqs and runsp_triqs
file to the /opt/wien/SRC_templates. My data directory wher
Dear sir
sorry for asking silly question . I have created almblm.coeff.
This is the output file
root@chimera:~/new_calculation# x lapw2 -almd
: 1 01.00
: 1 00.00
: 1 00.014008
0 2 F T F
0 2 F T F
Semicore for
Dear sir,
I have just taken TiC example from user guide and run for
non-spin polarised calculation.
Regards
wasim
On Tue, Apr 30, 2013 at 12:12 PM, Peter Blaha
wrote:
> Mixing spin-polarized and non-spinpolarized calculations ??
> (run_lapw and runsp_lapw )
>
>
> On 04/30/2013 07:
Mixing spin-polarized and non-spinpolarized calculations ??
(run_lapw and runsp_lapw )
On 04/30/2013 07:45 AM, wasim raja Mondal wrote:
Dear Prof. Peter Blaha
I have gone through the shell-script of the user-guide. I found -almd
flag and -qdmft flag for the dmft. But i am not getting how to run
Dear Prof. Peter Blaha
I have gone through the shell-script of the user-guide. I found -almd flag
and -qdmft flag for the dmft. But i am not getting how to run. I will start
with the usual process as described in the quick start part in the user
guide and going in the the session directory and typ
Check the UG. These two files are ceated ONLY when using a special
switch/input for lapw2.
On 04/26/2013 02:48 PM, wasim raja Mondal wrote:
Dear Prof. peter blaha and wien2k experts,
I have installed wien2k_12 version in my ubuntu desktop. I have run the
TiC example. I want to do LDA+DMFT calc
Dear Prof. peter blaha and wien2k experts,
I have installed wien2k_12 version in my ubuntu desktop. I have run the TiC
example. I want to do LDA+DMFT calculation. For that I will take the output
of wien2k and run dmftproj which is a part of TRIQS (I have installed it).
According to the dmftproj m
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