[Pw_forum] Please help me

陶鹏 ptao10b at imr.ac.cn
Tue Nov 1 03:03:41 CET 2011


Dear all,

I just met a strange problem when using "dynmat.x" at K point. The supercell of graphene contains 6 carbon atoms which have 18 vibrating modes. All of them are available in the file "gg.dynK".

However, if I apply the "dynmat.x" on "gg.dynK", the screen displayed like this:

forrtl: severe (24): end-of-file during read, unit 5, file stdin, line 442, position 0
Image              PC                Routine            Line        Source             
dynmat.x           0000000000A865AD  Unknown               Unknown  Unknown
dynmat.x           0000000000A850B5  Unknown               Unknown  Unknown
dynmat.x           0000000000A1B719  Unknown               Unknown  Unknown
dynmat.x           00000000009B45CF  Unknown               Unknown  Unknown
dynmat.x           00000000009B3E02  Unknown               Unknown  Unknown
dynmat.x           00000000009E6B66  Unknown               Unknown  Unknown
dynmat.x           000000000043ADC1  Unknown               Unknown  Unknown
dynmat.x           000000000043AA6C  Unknown               Unknown  Unknown
libc.so.6          00002AD76A9EE184  Unknown               Unknown  Unknown
dynmat.x           000000000043A999  Unknown               Unknown  Unknown

Could someone tell me how to do? Thanks.

Yours,
Plato





-------------- next part --------------
A non-text attachment was scrubbed...
Name: gg.dynK
Type: application/octet-stream
Size: 26392 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111101/d733e6cf/attachment.obj>


More information about the users mailing list