<html><body><div style="color:#000; background-color:#fff; font-family:tahoma, new york, times, serif;font-size:14pt"><div dir="ltr"><font size="3">Dear all</font><br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: tahoma,new york,times,serif; background-color: transparent; font-style: normal;" dir="ltr"><font size="3">I have encountered with this error in relaxation of nanotubes.</font></div><font size="3">please guide me.<br><br></font><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: tahoma,new york,times,serif; background-color: transparent; font-style: normal;" dir="ltr"> <span style="font-weight: bold;">from c_bands : error # 1</span><br style="font-weight: bold;"><span style="font-weight: bold;"> too many bands are not converged.</span></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family:
tahoma,new york,times,serif; background-color: transparent; font-style: normal;" dir="ltr"><br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: tahoma,new york,times,serif; background-color: transparent; font-style: normal;" dir="ltr"><br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: tahoma,new york,times,serif; background-color: transparent; font-style: normal;" dir="ltr"> the file of relax.inp is:</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: tahoma,new york,times,serif; background-color: transparent; font-style: normal;" dir="ltr"><br></div><font style="font-family: Arabic Transparent,Arial;" size="2">&CONTROL<br> title = 10.0cnt ,<br>
calculation = 'relax' ,<br> restart_mode = 'from_scratch' ,<br> outdir = '/home//tmp' ,<br> pseudo_dir = '/home//espresso-4.3.2/pseudo/' ,<br> prefix = cnt10<br> nstep = 1000<br> forc_conv_thr =
1.0d-5<br> tstress = .true. ,<br> tprnfor = .true.<br> verbosity = 'high'<br> /<br> &SYSTEM<br> ibrav = 4,<br> celldm(1) = 45,<br> celldm(3) =
0.1788941,<br> nat = 40,<br> ntyp = 1,<br> ecutwfc = 50 ,<br> occupations = 'smearing' ,<br> degauss = 0.05 ,<br> smearing = 'methfessel-paxton'
,<br> /<br> &ELECTRONS<br> conv_thr = 1.0d-12<br> /<br> &IONS<br> ion_dynamics='bfgs'<br> /<br>ATOMIC_SPECIES<br> C 12.01078 C.pz-vbc.UPF <br> ATOMIC_POSITIONS angstrom <br>C 3.927796042 -0.000000000 0.708057193<br>C 3.735609040 1.213758318 1.421947256<br>C 3.177835277 2.308778546 0.708050258<br>C 2.308774878 3.177668118 1.421952069<br>C 1.213765191 3.735351406
0.708056121<br>C -0.000000000 3.927607724 1.421941004<br>C -1.213765191 3.735351406 0.708056121<br>C -2.308774878 3.177668118 1.421952069<br>C -3.177835277 2.308778546 0.708050258<br>C -3.735609040 1.213758318 1.421947256<br>C -3.927796042 0.000000000 0.708057193<br>C -3.735609040 -1.213758318 1.421947256<br>C -3.177835277 -2.308778546 0.708050258<br>C -2.308774878 -3.177668118 1.421952069<br>C
-1.213765191 -3.735351406 0.708056121<br>C 0.000000000 -3.927607724 1.421941004<br>C 1.213765191 -3.735351406 0.708056121<br>C 2.308774878 -3.177668118 1.421952069<br>C 3.177835277 -2.308778546 0.708050258<br>C 3.735609040 -1.213758318 1.421947256<br>C 3.735609040 -1.213758318 -1.421947256<br>C 3.177835277 -2.308778546 -0.708050258<br>C 2.308774878 -3.177668118 -1.421952069<br>C 1.213765191 -3.735351406
-0.708056121<br>C 0.000000000 -3.927607724 -1.421941004<br>C -1.213765191 -3.735351406 -0.708056121<br>C -2.308774878 -3.177668118 -1.421952069<br>C -3.177835277 -2.308778546 -0.708050258<br>C -3.735609040 -1.213758318 -1.421947256<br>C -3.927796042 0.000000000 -0.708057193<br>C -3.735609040 1.213758318 -1.421947256<br>C -3.177835277 2.308778546 -0.708050258<br>C -2.308774878 3.177668118 -1.421952069<br>C -1.213765191 3.735351406
-0.708056121<br>C -0.000000000 3.927607724 -1.421941004<br>C 1.213765191 3.735351406 -0.708056121<br>C 2.308774878 3.177668118 -1.421952069<br>C 3.177835277 2.308778546 -0.708050258<br>C 3.735609040 1.213758318 -1.421947256<br>C 3.927796042 0.000000000 -0.708057193<br>K_POINTS automatic <br> 1 1 7 1 1 1 <br></font><br></div></body></html>