[Wien] Problem running fold2bloch interface with wien2k_17

[DibyaR Prakash]

Dear Wien2K users,

I have a problem running fold2boch command . I install fold2bloch program
using make command.
fold2bloch excitable is generated.
However when I run the tutorial.
# ~/fold2Bloch/fold2Bloch -c Ga8As7Bi1.vector 2:2:2
I got the following error,

 **************************
 **     fold2Bloch       **
 ** version Jul 12, 2022 **
 **************************
Detected 3 input arguments
Checking prerequisite files...
Ga8As7Bi1.vector  vector file found
 Unable to read the Dp2s(1,:) matrix
 Relevant input line = 2:2:1
 Parsed input section = 2
 while expected 3 numerical values separated by space.
ERROR: Unable to recognize command line options. Possible options are:
fold2Bloch -h # get help
fold2Bloch -r case.vector[_1] "'P11 P12 P13:P21 P22 P23:P31 P32 P33'" #
real calculation (inversion symm.) no SO
fold2Bloch -c case.vector[_1] "'P11 P12 P13:P21 P22 P23:P31 P32 P33'" #
complex calc. (no inv. symm.) no SO
fold2Bloch case.vector[_1] "'P11 P12 P13:P21 P22 P23:P31 P32 P33'" #
complex calc. implied no SO
fold2Bloch -so case.vectorso[_1] case.vectorsodn[_1] case.normsoup[_1]
case.normsodn[_1] "'P11 P12 P13:P21 P22 P23:P31 P32 P33'" # spin-orbit
without -sp
fold2Bloch -so case.vectorsoup[_1] case.vectorsodn[_1] case.normsoup[_1]
case.normsodn[_1] "'P11 P12 P13:P21 P22 P23:P31 P32 P33'" # spin-orbit with
-sp

Notes:
(1) [P] matrix (internally called Dp2s) is used to transform primitive a_p
to supercell a_s lattice vectors (same as in VESTA):
       a_s(i) = sum_j a_p(j)*P(j,i)      i,j = 1, 2, 3
(2) Use quotations to input the [P] matrix _exactly_ as shown in this help
(3) Tutorials can be found at
https://github.com/rubel75/fold2Bloch-Wien2k/wiki

The log file is attached.

Thank you in advance.

Dibya Prakash Rai
-----------------------------------------
Assistant Professor
Physical Sciences Research Center(PSRC)
Pachhunga University College
Aizawl,Mizoram
India-796001
Mobile:8132832252
-----------------------------------------
https://www.researchgate.net/profile/Dibya_Rai
https://scholar.google.co.in/citations?user=rQvHHw8AAAAJ&hl=en
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