[Wien] Regarding the wien2k scf calculation initialization.

Laurence Marks laurence.marks at gmail.com
Wed May 17 11:06:06 CEST 2023


To repeat, please read your own file.

More fundamentally, you need to understand something's about computers,
which means you need to do some reading/learning and work. You also need to
understand something about DFT. Some suggestions are:

https://medium.com/@thelukaswils/understanding-compilers-for-humans-ba970e045877
https://www.amazon.com/s?k=linux+for+dummies&hvadid=616990801337&hvdev=t&hvlocphy=9021565&hvnetw=g&hvqmt=e&hvrand=5949380106820869030&hvtargid=kwd-142838496&hydadcr=24658_13611734&tag=googhydr-20&ref=pd_sl_97fq16rp4q_e
(look in our library)
https://dft.uci.edu/learnDFT.php

If you keep posting emails like this without doing some work yourself
people may not respond.

“Bad instructors teach you what to think, worse ones teach you how to
think, but the good ones teach you how important it is to learn to think
for yourself.” Vincent H. O'Neil,

--
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering, Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Tue, May 16, 2023, 23:50 chethanv Research Scholar <
chethanv at physics.uni-mysore.ac.in> wrote:

> Thank you for your email. I don't know what is the reason and error about
> dstart , I am attaching the compile.msg please guide me to install correctly
>
> On Tue, May 16, 2023 at 9:38 PM chethanv Research Scholar <
> chethanv at physics.uni-mysore.ac.in> wrote:
>
>> Thank you for your reply. I am attaching the compile.msg file below
>> please let me know how to resolve this issue.
>>
>>
>> On Tue, May 16, 2023 at 6:25 PM chethanv Research Scholar <
>> chethanv at physics.uni-mysore.ac.in> wrote:
>>
>>> I am running wien version 23.2 on a AMD Ryzen9 machine with gcc fortran
>>> compilers.
>>>  I get the following error
>>>
>>> error: command   /home/admin123/WIEN2k_23/dstartpara dstart.def   failed
>>> 0.025u 0.002s 0:00.26 7.6%	0+0k 0+32io 0pf+0w
>>> dstart: Command not found.
>>>
>>>
>>>
>>> with best regards
>>> Chethan V.
>>> Junior Research Fellow
>>> University of Mysore
>>> Ph. No. 8050435657
>>>
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