[Wien] lapw1

[Laurence Marks]

Please carefully read the section on installing Wien2k in the user guide.

Then read it again, and ensure that you understand it.

Read it a third time, then install.

You have to stop sending out emails for everything, you need to do some
work yourself to understand. For instance, I see that you also posted your
first NaN message to a general Ubuntu list, and they blocked it as
irrelevant.

--
Professor Laurence Marks
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 Fri, Jan 6, 2023, 01:53 naincy Pandit <naincypandit42 at gmail.com> wrote:

> RESPECTED SIR
>
>
> as you told me to install oneAPI so i did it and now it is installed but
> there is a problem with Wien2k previously I have Wien2k 19.01 and now I
> installed Wien2k 21.1.
>
> please tell me how to uninstall the older version so that the new one
> comes into account
>
> again there is a problem that is
>
> /home/naincy/WIEN2k_21.1/lapw1: Command not found.
> 0.000u 0.000s 0:00.00 0.0%	0+0k 0+0io 0pf+0w
> error: command   /home/naincy/WIEN2k_21.1/lapw1 lapw1.def   failed
>
>
>
>  you told me to do ./siteconfig, i already did it but  this comes
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
> *
>  ***********************************************************************
>  *           Update a package from its SRC_XX.tar.gz file              *
>  ***********************************************************************
>  Available packages:ls: No match.ls: No match.     Specify the name of the
> package XX (e.g. lapw1): lapw1SRC_lapw1.tar.gz does not exist. Please
> check.
>  ***********************************************************************
>  *           Update a package from its SRC_XX.tar.gz file              *
>  ***********************************************************************
>  Available packages:ls: No match.ls: No match.     Specify the name of the
> package XX (e.g. lapw1): *
>
> lapw1.tar.gz is not present only two folders *lapw1para_lapw *and
> * lapw1para_lapw*.*orig*  exists and I m not able to correct it please
> help me out.
>
> On Wed, 4 Jan 2023 at 17:26, Laurence Marks <laurence.marks at gmail.com>
> wrote:
>
>> What you sent describes the issue:
>>
>> /home/naincy/WIEN2k_21.1/nn: Command not found
>>
>> That means you did not compile it correctly. Go back and check for errors
>> during the compilation when you did siteconfig. For instance, go to
>> /home/Nancy/WIEN_21.1, do ./siteconfig and recompile just nn (for instance).
>>
>> Look at the errors.
>>
>> --
>> Professor Laurence Marks
>> 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 Wed, Jan 4, 2023, 04:44 naincy Pandit <naincypandit42 at gmail.com>
>> wrote:
>>
>>> Dear Prof. Blaha sir and Wien2k users,
>>>
>>>
>>>  i am working with Wien2k_21.1 version with Ubuntu 22.04 with oneAPI installed recently after installation i m geeting this type of error
>>>
>>>  stop error
>>>
>>> error: command   /home/naincy/WIEN2k_21.1/nn nn.def   failed
>>> 0.000u 0.000s 0:00.00 0.0%	0+0k 0+0io 0pf+0w
>>> /home/naincy/WIEN2k_21.1/nn: Command not found.
>>>  next is nn
>>> file    BaZrS3.struct_setrmt   generated
>>> atom  Z   RMT-max   RMT
>>> Use of uninitialized value $rmt[3] in sprintf at /home/naincy/WIEN2k_21.1/setrmt_lapw line 249,  line 41.
>>> Use of uninitialized value $rmt[2] in sprintf at /home/naincy/WIEN2k_21.1/setrmt_lapw line 249,  line 32.
>>> Use of uninitialized value $rmt[1] in sprintf at /home/naincy/WIEN2k_21.1/setrmt_lapw line 249,  line 19.
>>> Use of uninitialized value $rmt[0] in sprintf at /home/naincy/WIEN2k_21.1/setrmt_lapw line 249,  line 10.
>>> readline() on closed filehandle NN at /home/naincy/WIEN2k_21.1/setrmt_lapw line 163.
>>> readline() on closed filehandle NN at /home/naincy/WIEN2k_21.1/setrmt_lapw line 152.
>>> error: command   /home/naincy/WIEN2k_21.1/nn nn.def   failed
>>> 0.000u 0.000s 0:00.00 0.0%	0+0k 0+0io 0pf+0w
>>> /home/naincy/WIEN2k_21.1/nn: Command not found.
>>>
>>> i tried to solve my problem using this link
>>>
>>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07912.html
>>>
>>> also tried this https://www.youtube.com/watch?v=nify81ZbzkU
>>>
>>> but it didnot worked.
>>>
>>>
>>> please guide me and give your valueable response.
>>>
>>>
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