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hup: Command not found.
LAPW0 END
LAPW1 END
LAPW2 END
CORE END
MIXER END
ec cc and fc_conv 0 1 1
in cycle 2 ETEST: .1618329400000000 CTEST: .8749688
hup: Command not found.
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ÒÔÏÂÊÇlapw0.defÖеÄÄÚÈÝ£¬lawp0.errorÎļþÖÐûÓÐÄÚÈÝ¡£
3,'TiC.rhopw', 'unknown','formatted',0
4,'TiC.inm', 'unknown','formatted',0
5,'TiC.in0', 'old', 'formatted',0
6,'TiC.output0', 'unknown','formatted',0
7,'TiC.vorbup', 'unknown','formatted',0
8,'TiC.clmsum', 'old', 'formatted',0
9,'TiC.vtotal', 'unknown','formatted',0
10,'TiC.vcoul', 'unknown','formatted',0
11,'TiC.r2v', 'unknown','formatted',0
12,'TiC.clmup', 'unknown','formatted',0
13,'TiC.clmdn', 'unknown','formatted',0
14,'TiC.mbjmix', 'unknown','formatted',0
16,'TiC.vsp','unknown','formatted',0
17,'TiC.vspdn', 'unknown','formatted',0
18,'TiC.vns','unknown','formatted',0
19,'TiC.vnsdn', 'unknown','formatted',0
20,'TiC.struct', 'old', 'formatted',0
21,'TiC.scf0', 'unknown','formatted',0
28,'TiC.vrespsum','unknown','formatted',0
29,'TiC.vrespup', 'unknown','formatted',0
30,'TiC.vrespdn', 'unknown','formatted',0
50,'TiC.eeceup', 'unknown','formatted',0
51,'TiC.eecedn', 'unknown','formatted',0
62,'TiC.grr', 'unknown','formatted',0
63,'/home/wq/WIEN2k_19.2/SRC_lapw0/xc_funcs.h','unknown','formatted',0
64,'TiC.r2v_nonloc', 'unknown','formatted',0
61,'TiC.in0abp', 'unknown','formatted',0
ÒÔÏÂÊÇlapw1.defÖеÄÄÚÈÝ£¬lawp1.errorÎļþÖÐûÓÐÄÚÈÝ¡£
4,'TiC.klist', 'unknown','formatted',0
5,'TiC.in1', 'old', 'formatted',0
6,'TiC.output1','unknown','formatted',0
10,'./TiC.vector', 'unknown','unformatted',9000
11,'TiC.energy', 'unknown','formatted',0
18,'TiC.vsp', 'old', 'formatted',0
19,'TiC.vns', 'unknown','formatted',0
20,'TiC.struct', 'old', 'formatted',0
21,'TiC.scf1', 'unknown','formatted',0
55,'TiC.vec', 'unknown','formatted',0
71,'TiC.nsh', 'unknown','unformatted',0
200,'./TiC.storeHinv', 'replace','unformatted',9000
ÒÔÏÂÊÇlapw2.defÖеÄÄÚÈÝ£¬lawp2.errorÎļþÖÐûÓÐÄÚÈÝ¡£
2,'TiC.nsh', 'unknown','unformatted',0
3,'TiC.in1', 'unknown','formatted',0
4,'TiC.inso', 'unknown','formatted',0
5,'TiC.in2', 'old', 'formatted',0
6,'TiC.output2','unknown','formatted',0
7,'TiC.vorb','unknown','formatted',0
8,'TiC.clmval','unknown','formatted',0
10,'./TiC.vector', 'unknown','unformatted',9000
13,'TiC.recprlist', 'unknown','unformatted',9000
14,'TiC.kgen', 'unknown','formatted',0
16,'TiC.qtl', 'unknown','formatted',0
17,'TiC.weightaver','unknown','formatted',0
18,'TiC.vsp', 'old', 'formatted',0
19,'TiC.vns', 'unknown','formatted',0
20,'TiC.struct', 'old', 'formatted',0
21,'TiC.scf2','unknown','formatted',0
922,'TiC.rotlm', 'unknown', 'formatted',0
23,'TiC.radwf', 'unknown', 'formatted',0
26,'TiC.weight', 'unknown','formatted',0
27,'TiC.weightdn', 'unknown','formatted',0
29,'TiC.energydn','unknown','formatted',0
30,'TiC.energy', 'unknown','formatted',0
32,'TiC.qdmft', 'unknown', 'formatted',0
34,'TiC.oubwin', 'unknown', 'formatted',0
231,'TiC.dmftsym', 'unknown', 'formatted',0 |