<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div><span>Dear Users, <br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>Please find below the input file that generated the above error. <br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><br><span></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>I need your suggestion(s) on the possible problem(s)</span></div><div style="color: rgb(0,
0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><br><span></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>Thanks</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span><br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>&CONTROL<br> calculation='scf'<br> restart_mode='from_scratch',<br> !pseudo_dir='directory where pseudopotentials
are stored/',<br> !outdir='directory where large files are written/'<br> tstress = .true.<br> tprnfor = .true.<br> pseudo_dir='/home/okoye/espresso-5.0.2/pseudo',<br> outdir='./tmp'<br> prefix='w',<br> /<br> &SYSTEM <br> ibrav=3, <br> celldm(1)=5.9806,<br> nat=1,<br> ntyp=1,<br> occupations='smearing',<br> degauss=0.02,<br> smearing='mp',<br> ecutwfc = 8,<br> ecutrho = 10*ecutwfc<br> /<br> &ELECTRONS<br> diagonalization = 'david',<br> mixing_mode = 'plain',<br> conv_thr = 1.0d-8,<br> mixing_beta = 0.7,<br> /<br>ATOMIC_SPECIES<br> W 183.85
W.pbe-nsp-van.UPF<br>ATOMIC_POSITIONS<br> W 0.00 0.00 0.00<br>K_POINTS automatic<br> 12 12 12 1 1 1</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span><br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>Okoye<br></span></div><div> </div><div>=========</div><div><br><br></div><div>Chukwuemeka M I Okoye<br>Department of Physics and Astronomy,<br>University of Nigeria, <br>Nsukka. <br>Enugu State,<br>NIGERIA.<br>Phone: +234-7038766990<br>+234-8053310658<br>E-mail: okoyecmi@yahoo.com, cmi.okoye@unn.edu.ng<br></div></div></body></html>