[Wien] Lapw.2 error
Johnathon Street
jstreet1 at csub.edu
Fri Apr 17 20:01:03 CEST 2020
Prof. Blaha,
I am running Wien2k version 19.1 on Ubuntu. When running the SFC cycle I am receiving the following error in Lapw2. error file.
'LAPW2' - can't open unit: 15
'LAPW2' - filename: WIEN2k.tmp
'LAPW2' - status: scratch form: unformatted
I have searched the mailing list and found a possible solution would be to delete line 15 in the lapw2.def file which appears as below:
2,'WIEN2k.nsh', 'unknown','unformatted',0
3,'WIEN2k.in1', 'unknown','formatted',0
4,'WIEN2k.inso', 'unknown','formatted',0
5,'WIEN2k.in2', 'old', 'formatted',0
6,'WIEN2k.output2','unknown','formatted',0
7,'WIEN2k.vorb','unknown','formatted',0
8,'WIEN2k.clmval','unknown','formatted',0
10,'./WIEN2k.vector', 'unknown','unformatted',9000
13,'WIEN2k.recprlist', 'unknown','unformatted',9000
14,'WIEN2k.kgen', 'unknown','formatted',0
16,'WIEN2k.qtl', 'unknown','formatted',0
17,'WIEN2k.weightaver','unknown','formatted',0
18,'WIEN2k.vsp', 'old', 'formatted',0
19,'WIEN2k.vns', 'unknown','formatted',0
20,'WIEN2k.struct', 'old', 'formatted',0
21,'WIEN2k.scf2','unknown','formatted',0
922,'WIEN2k.rotlm', 'unknown', 'formatted',0
23,'WIEN2k.radwf', 'unknown', 'formatted',0
26,'WIEN2k.weight', 'unknown','formatted',0
27,'WIEN2k.weightdn', 'unknown','formatted',0
29,'WIEN2k.energydn','unknown','formatted',0
30,'WIEN2k.energy', 'unknown','formatted',0
32,'WIEN2k.qdmft', 'unknown', 'formatted',0
34,'WIEN2k.oubwin', 'unknown', 'formatted',0
231,'WIEN2k.dmftsym', 'unknown', 'formatted',0
so that the lapw.def file looks like this.
line 15 prior to deletion is as follows:
15, 'WIEN2k.tmp', 'scratch', unformatted' ,0
I continue to get the same error following deleting line 15. Do you have any suggestions
Thank you,
Johnathon Street
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