Dr. Gianozzi i am new in pwscf calculations: wen calculating lattice the code stops!!!!!
???? Program PWSCF v.4.2??????? starts on 10Sep2012 at 14:52:45 ???? This program is part of the open-source Quantum ESPRESSO suite ???? for quantum simulation of materials; please acknowledge ???????? "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); ????????? URL http://www.quantum-espresso.org";, ???? in publications or presentations arising from this work. More details at ???? http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO ???? Current dimensions of program PWSCF are: ???? Max number of different atomic species (ntypx) = 10 ???? Max number of k-points (npk) =? 40000 ???? Max angular momentum in pseudopotentials (lmaxx) =? 3 ???? Waiting for input... ?%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% ???? from? iosys? : error #???????? 1 ????? invalid lattice parameters ( celldm or a ) ?%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% ???? stopping ... -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120911/af4f85b2/attachment.htm
