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<p>There is more than one way to apply it. However, the easiest way
I have found to apply it is as follows:<br>
</p>
<p>1. I go to:
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/blob/master/21.1/calLa_Pre_elast.patch">https://github.com/gsabo/WIEN2k-Patches/blob/master/21.1/calLa_Pre_elast.patch</a></p>
<p>2. I click on the Raw button</p>
<p>3. I get the raw url, which is:</p>
<p><a class="moz-txt-link-freetext" href="https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/21.1/calLa_Pre_elast.patch">https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/21.1/calLa_Pre_elast.patch</a></p>
<p>I either use wget (or curl) latter to download the patch to my
computer.</p>
<p>4. To apply the patch, I enter the commands shown below in a bash
terminal:</p>
<p>username@computername:~/Desktop$ <font color="#0000ff">cd
$WIENROOT/SRC_IRelast</font><br>
username@computername:~/WIEN2k/SRC_IRelast$ <font color="#0000ff">wget
<a class="moz-txt-link-freetext" href="https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/21.1/calLa_Pre_elast.patch">https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/21.1/calLa_Pre_elast.patch</a></font><br>
...<br>
username@computername:~/WIEN2k/SRC_IRelast$ <font color="#0000ff">patch
-b calLa_Pre_elast.f calLa_Pre_elast.patch </font><br>
patching file calLa_Pre_elast.f<br>
username@computername:~/WIEN2k/SRC_IRelast$ <font color="#0000ff">cd
..</font><br>
username@computername:~/WIEN2k$ <font color="#0000ff">./siteconfig</font><br>
...<br>
Selection: <font color="#0000ff">R</font><br>
...<br>
Selection: <font color="#0000ff">S</font><br>
...<br>
Which program to recompile? <font color="#0000ff">IRelast</font><br>
...<br>
Compile time errors (if any) were:<br>
<br>
<br>
Check file compile.msg in the corresponding SRC_* directory
for the <br>
compilation log and more info on any compilation problem.<br>
<br>
Press RETURN to continue<br>
<br>
Selection: <font color="#0000ff">Q</font></p>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user<br>
<br>
<div class="moz-cite-prefix">On 7/5/2022 4:32 AM, <a class="moz-txt-link-abbreviated" href="mailto:413119008@nitt.edu">413119008@nitt.edu</a>
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:20220705160228.Horde.rUJz6FEOJdta-FhvmWe3Fob@students.nitt.edu">Sir
<br>
<br>
how to apply this patch to the file.
<br>
<br>
<br>
Quoting Gavin Abo <a class="moz-txt-link-rfc2396E" href="mailto:gabo13279@gmail.com"><gabo13279@gmail.com></a>:
<br>
<br>
<blockquote type="cite">That may be due to a gfortran compiler
incompatibility with the code. There is an experimental patch
named "calLa_Pre_elast.patch" that you could give a try. It is
at:
<br>
<br>
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/21.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/21.1</a>
<br>
<br>
Kind Regards,
<br>
<br>
Gavin
<br>
WIEN2k user
<br>
<br>
On 7/4/2022 7:46 AM, <a class="moz-txt-link-abbreviated" href="mailto:413119008@nitt.edu">413119008@nitt.edu</a> wrote:
<br>
<blockquote type="cite">
<br>
Respected sir,
<br>
<br>
I am using <a class="moz-txt-link-abbreviated" href="mailto:WIEN@K.21.1">WIEN@K.21.1</a> in my work
station with ubuntu OS.I was trying to do the Elastic constant
calculation using IRelast,but i was getting folllowing error.
<br>
<br>
I run 'set_elast_lapw'
<br>
then give no.of pressure
<br>
then value of pressure
<br>
After that i am getting as mentioned below
<br>
<br>
<br>
Read data from line 8 ....
<br>
At line 83 of file calLa_Pre_elast.f (unit = 10, file =
'MgO.outputeos')
<br>
Fortran runtime error: Constant string in input format
<br>
(' V0,B(GPa),BP,E0',3f15.4,f18.6)
<br>
^
<br>
<br>
Error termination. Backtrace:
<br>
#0 0x154aa00e932a
<br>
#1 0x154aa00e9ed5
<br>
#2 0x154aa00ea69d
<br>
#3 0x154aa0253cb1
<br>
#4 0x154aa0262101
<br>
#5 0x154aa026372c
<br>
#6 0x154aa02642d2
<br>
#7 0x55d47934d7ef
<br>
#8 0x55d47934cd7e
<br>
#9 0x154a9f960c86
<br>
#10 0x55d47934cdb9
<br>
#11 0xffffffffffffffff
<br>
cp: cannot stat 'init.struct': No such file or directory
<br>
<br>
<br>
(C)by Morteza Jamal
<br>
(2014)
<br>
***** * * ******
<br>
* * * *
<br>
* * * ******
<br>
* * * *
<br>
***** * * ******
<br>
<br>
<br>
#######################################
<br>
# set_elast_lapw
<br>
<br>
#######################################
<br>
# C_set_elast_lapw prepares #
<br>
# Directories and job files. #
<br>
# C(2017) by Morteza Jamal #
<br>
# it creates c11+2c12, #
<br>
# c11-c12, and c44 directories #
<br>
# and CUBIC.job file #
<br>
# in them #
<br>
# which must be executed #
<br>
# and can be analyzed by #
<br>
# C_ana_elast_lapw #
<br>
#######################################
<br>
cp: -r not specified; omitting directory '../../MgO/.'
<br>
cp: -r not specified; omitting directory '../../MgO/..'
<br>
<br>
So i kindly request to help me to correct this error.
<br>
<br>
with regards
<br>
Narayanan Namboodiri P
<br>
</blockquote>
</blockquote>
</blockquote>
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