[Wien] nn.def failed

naincy Pandit naincypandit42 at gmail.com
Wed Jan 4 11:44:05 CET 2023


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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