<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><DIV>Hi</DIV>
<DIV>first</DIV>
<DIV>thanks hande Hande Ustunel for your response</DIV>
<DIV>second</DIV>
<DIV>I have a problem during running the pw input for a (5,0) nanotube.</DIV>
<DIV> </DIV>
<DIV><BR>&CONTROL</DIV>
<DIV> calculation = 'scf' ,</DIV>
<DIV> restart_mode = 'restart' ,</DIV>
<DIV> outdir = '/home/meisam/projhe/5-0/apoint/scratch/' ,</DIV>
<DIV> pseudo_dir = '/home/meisam/espresso-3.1.1/pseudo/' ,</DIV>
<DIV> prefix = 'cnt-scf' ,</DIV>
<DIV> /<BR> &SYSTEM</DIV>
<DIV> ibrav = 4,</DIV>
<DIV> celldm(1) = 20,</DIV>
<DIV> celldm(3) = 0.282460,</DIV>
<DIV> nat = 20,</DIV>
<DIV> ntyp = 1,</DIV>
<DIV> ecutwfc = 30 ,</DIV>
<DIV> /<BR> &ELECTRONS</DIV>
<DIV> <BR> <BR>/</DIV>
<DIV>ATOMIC_SPECIES</DIV>
<DIV> C 12.00000 C.pz-vbc.UPF</DIV>
<DIV>ATOMIC_POSITIONS angstrom</DIV>
<DIV> C 1.957217600 0.000000000 0.000000000</DIV>
<DIV> C 1.583422300 1.150423600 0.710000000</DIV>
<DIV> C 0.604813500 1.861424500 0.000000000</DIV>
<DIV> C -0.604813500 1.861424500 0.710000000</DIV>
<DIV> C -1.583422300 1.150423600 0.000000000</DIV>
<DIV> C -1.957217600 0.000000000 0.710000000</DIV>
<DIV> C -1.583422300 -1.150423600 0.000000000</DIV>
<DIV> C -0.604813500 -1.861424500 0.710000000</DIV>
<DIV> C 0.604813500 -1.861424500 0.000000000</DIV>
<DIV> C 1.583422300 -1.150423600 0.710000000</DIV>
<DIV> C 1.583422300 1.150423600 2.130000000</DIV>
<DIV> C 0.604813500 1.861424500 2.840000000</DIV>
<DIV> C -0.604813500 1.861424500 2.130000000</DIV>
<DIV> C -1.583422300 1.150423600 2.840000000</DIV>
<DIV> C -1.957217600 0.000000000 2.130000000</DIV>
<DIV> C -1.583422300 -1.150423600 2.840000000</DIV>
<DIV> C -0.604813500 -1.861424500 2.130000000</DIV>
<DIV> C 0.604813500 -1.861424500 2.840000000</DIV>
<DIV> C 1.583422300 -1.150423600 2.130000000</DIV>
<DIV> C 1.957217600 0.000000000 2.840000000</DIV>
<DIV>K_POINTS automatic</DIV>
<DIV> 1 1 14 1 1 1</DIV>
<DIV>error :</DIV>
<DIV>Self-consistent Calculation</DIV>
<DIV> iteration # 1<BR> ecut= 30.00 ryd beta=0.70<BR> <BR>Davidson diagonalization with overlap<BR> IOS = 36</DIV>
<DIV> <BR>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> from davcio : error # 10<BR> i/o error in davcio<BR> <BR>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV><BR> </DIV></div><br>
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