If the folder NdGaO3 is where you did "run_lapw", maybe you accidentally
skipped the "cd NdGaO3w2w" step when following the wien2wannier cheat
sheet [
https://github.com/wien2wannier/wien2wannier/blob/master/doc/CHEATSHEET
] after creating the NdGaO3w2w.fermi file in the NdGaO3w2w folder using
the prepare_w2wdir script. For example, after you used the command
similar to:
prepare_w2wdir NdGaO3w2w
On 5/18/2018 7:22 AM, bangxing wrote:
Dear all
When I execute the code x w2w -p, the following error will come.
[root@sciencehost NdGaO3]# x w2w -p
/opt/WIEN2K/17.1/w2w: error while processing def file `w2w.def': file
not found, unit 51, file /root/cal/NdGaO3/NdGaO3.fermi
0.018u 0.013s 0:00.03 66.6% 0+0k 0+8io 0pf+0w
[root@sciencehost NdGaO3]# vim w2w.def
5,'NdGaO3.inwf', 'old', 'formatted', 0
6,'NdGaO3.outputwf', 'unknown','formatted', 0
7,'NdGaO3.amn', 'unknown','formatted', 0
8,'NdGaO3.mmn', 'unknown','formatted', 0
10,'./NdGaO3.vector','old','unformatted',0
11,'NdGaO3.nnkp', 'old', 'formatted', 0
12,'NdGaO3.eig', 'unknown','formatted', 0
18,'NdGaO3.vsp', 'old', 'formatted', 0
20,'NdGaO3.struct', 'old', 'formatted', 0
50,'NdGaO3.energy', 'old', 'formatted', 0
51,'NdGaO3.fermi' 'old', 'formatted', 0
~
After the run_lapw, why there isn't NdGaO3.fermi file? But during my
calculationg, there have no error.
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