<DIV>
<DIV>Dear Dr. :</DIV>
<DIV> I have attached the input,output and the error files of the TiC in the affix as following:</DIV>
<DIV> </DIV>
<DIV>The output file of TiC:</DIV>
<DIV>***************************************************************</DIV>
<DIV>.Program PWSCF v.2.1.3 starts ...<BR> Today is 27Apr2005 at 21: 8:32 </DIV>
<DIV> Ultrasoft (Vanderbilt) Pseudopotentials</DIV>
<DIV> Current dimensions of program pwscf are:<BR> ntypx =10 npk =40000 lmax = 3<BR> nchix = 6 ndmx = 2000 nbrx =14 nqfx = 8</DIV>
<DIV> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR> from read_namelists : error # 136<BR> reading namelist control <BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> stopping ...</DIV>
<DIV>*********************************************************************************</DIV>
<DIV> </DIV>
<DIV>The input file of TiC:</DIV>
<DIV>************************************************************************************</DIV>
<DIV> &CONTROL<BR> title = TiC ,<BR> calculation = 'vc-relax' ,<BR> restart_mode = 'from_scratch' ,<BR> outdir = '/home/zul2/Tic-pwscf/' ,<BR> pseudo_dir = '/home/zul2/pwscf/fhi98PP/bin/Elements/Ham/' ,<BR> /<BR> &SYSTEM<BR> ibrav =
2,<BR> A = 4 ,<BR> B = 4 ,<BR> C = 4 ,<BR> cosAB = 0 ,<BR> cosAC = 0 ,<BR> cosBC = 0
,<BR> nat = 2,<BR> ntyp = 2,<BR> ecutwfc = 20 ,<BR> ecutrho = 60 ,<BR> nspin = 2 ,<BR> starting_magnetization(1) = 0,<BR> starting_magnetization(2) = 0,<BR> /<BR> &ELECTRONS<BR> electron_maxstep =
100,<BR> /<BR> &IONS<BR> /<BR> &CELL<BR> /<BR>ATOMIC_SPECIES<BR> Ti 22.00000 22-Ti:h.ini <BR> C 6.00000 06-C:h.ini <BR>ATOMIC_POSITIONS crystal <BR> Ti 0.000000000 0.000000000 0.000000000 <BR> C 0.500000000 0.500000000 0.500000000 <BR>K_POINTS gamma <BR>***********************************************************************************</DIV>
<DIV><BR><BR><B><I>Eyvaz Isaev <eyvaz_isaev@yahoo.com></I></B> 写道:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Dear Zhu,<BR><BR>There is a "nearsightseeing" principle in condensed<BR>matter physics. According to this principle I don't<BR>see your output file, therefore, I do not feel (or<BR>see) an error.<BR><BR>Bests,<BR>Eyvaz.<BR><BR><BR>--- БЩ ЧЎ<BR><ZHUPWSCF@YAHOO.COM.CN>wrote:<BR>> Dear Eyvaz:<BR>> I'm grateful to you for helping me.<BR>> There is not pseudopotential for Co atom<BR>> except for fhi98pp pseudopotential of Co atom. The<BR>> output file said nothing but just error 136,<BR>> <BR>> Best regards!<BR>> Yours sincerely,<BR>> L.Zhu<BR>> <BR>> Eyvaz Isaev <EYVAZ_ISAEV@YAHOO.COM><BR>Рґ?#1040;:<BR>> Hello,<BR>> <BR>> It means that it does not depend on PsP, at least. <BR>> I suggest, nobody will be able to say something <BR>> until you send your ouput file.<BR>> <BR>> Bests,<BR>> Eyvaz.<BR>> <BR>> ---
?#1118;Щ ?#8470;#1038;<BR>> wrote:<BR>> > Dear everyone:<BR>> > I'm a new user of pwscf, I use the fhi98pp <BR>> > pseudopotential ,but there is an error 136, and<BR>> say<BR>> > nothing, I user other pseudopotential ,it's the<BR>> > same error. I don't know what's wrong.<BR>> > <BR>> > <BR>> > Best regards!<BR>> > <BR>> > <BR>> > <BR>> > <BR>> > ---------------------------------<BR>> > Do You Yahoo!?<BR>> ><BR>><BR>?#8470;#1118;#1030;?#1058;К?#1038;#1029;?#1065;?#1169;?#1041;?#1081;?#1025;?#1062;К?#1044;?#1110;Е?#1118;Г?#1059;?#1057;?#1079;УК<BR>> <BR>> __________________________________________________<BR>> Do You Yahoo!?<BR>> Tired of spam? Yahoo! Mail has the best spam<BR>> protection around <BR>> http://mail.yahoo.com <BR>> _______________________________________________<BR>> Pw_forum mailing list<BR>> Pw_forum@pwscf.org<BR>>
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