[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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