<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:arial, helvetica, sans-serif;font-size:10pt;color:#000000;"><DIV>Dear all,<BR><BR>I am trying to run nanotribology computations for a 24-atom graphene-like cluster on monolayer graphene of a 7x7 supercell. However, execution of the code leads to an error message: "Problems computing Cholesky decomposition". I looked up for this in the forum. I tried the recommendations I found out but none of them worked. I also tried diagonalization='david-serial' in the ELECTRONS namespace. I would be delighted if someone has any suggestions to solve this problem.<BR><BR>The input file is below:<BR><FONT size=2>
<P>&CONTROL</P>
<P>calculation = 'scf' ,</P>
<P>restart_mode = 'from_scratch' ,</P>
<P>outdir = '/home/fedai/tmp/' ,</P>
<P>pseudo_dir = '/home/fedai/espresso-4.1/pseudo/' ,</P>
<P>prefix = 'graphene' ,</P>
<P>tstress = .true. ,</P>
<P>tprnfor = .true. ,</P>
<P>/</P>
<P>&SYSTEM</P>
<P>ibrav = 4,</P>
<P>celldm(1) = 32.5350,</P>
<P>celldm(3) = 0.2,</P>
<P>nat = 152,</P>
<P>ntyp = 1,</P>
<P>ecutwfc = 32.0 ,</P>
<P></P>
<P>/</P>
<P>&ELECTRONS</P>
<P>conv_thr = 1.0d-6 ,</P>
<P>mixing_beta = 0.3 ,</P>
<P>diagonalization='cg-serial'</P>
<P>/</P>
<P>ATOMIC_SPECIES</P>
<P>C 12.01000 C.pz-rrkjus.UPF </P>
<P>ATOMIC_POSITIONS bohr </P>
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<P>C -2.323902961 4.025118000 0.000000000 1 1 1 </P>
<P>C 0.000000000 2.683412000 0.000000000 1 1 1 </P>
<P>C -4.647805922 8.050236000 0.000000000 1 1 1 </P>
<P>C -2.323902961 6.708530000 0.000000000 1 1 1 </P>
<P>C -6.971708882 12.075354000 0.000000000 1 1 1 </P>
<P>C -4.647805922 10.733648000 0.000000000 1 1 1 </P>
<P>C -9.295611843 16.100472000 0.000000000 1 1 1 </P>
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<P>C -16.267320726 28.175826000 0.000000000 1 1 1 </P>
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<P>K_POINTS automatic</P>
<P>7 7 1 0 0 0</P>
<P></P></FONT></DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>Dr. Fedai Inanir</DIV>
<DIV>Rize University</DIV>
<DIV>Deparment of Physics</DIV>
<DIV>Rize</DIV>
<DIV>Turkey</DIV>
<DIV> </DIV><!-- cg19.c4.mail.gq1.yahoo.com compressed/chunked Mon Dec 14 09:41:35 PST 2009 --></div><br>
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