[Pw_forum] Fw: an issue of dynmat.x

[Shaofeng Wang]

Dear all,

I am trying to calculate the infrared spectra of portlandite using phcg.x. 
When I
use ph.x to calculate, everything is ok. But when I use phcg.x to calculate,
I always met a problem of dynmat.x. The error information is as follow.
[shaofeng at localhost CaOH]$ dynmat.x < CaOH.dyn.in > CaOH.dyn.out
forrtl: severe (64): input conversion error, unit 1, file 
/home/shaofeng/QEcalculation/CaOH/CaOH.dyn
Image              PC                Routine            Line        Source
dynmat.x           00000000005C7E8A  Unknown               Unknown  Unknown
dynmat.x           00000000005C6986  Unknown               Unknown  Unknown
dynmat.x           0000000000586BF0  Unknown               Unknown  Unknown
dynmat.x           000000000052350E  Unknown               Unknown  Unknown
dynmat.x           0000000000522A4F  Unknown               Unknown  Unknown
dynmat.x           0000000000552913  Unknown               Unknown  Unknown
dynmat.x           0000000000551117  Unknown               Unknown  Unknown
dynmat.x           000000000041BA08  readmat_                  282 
dynmat.f90
dynmat.x           000000000041A7FF  MAIN__                    183 
dynmat.f90
dynmat.x           000000000041778C  Unknown               Unknown  Unknown
libc.so.6          00007FB12167DD5D  Unknown               Unknown  Unknown
dynmat.x           0000000000417689  Unknown               Unknown  Unknown


The version of QE is 5.4.0. The input files of dynmat.x and output files of
phcg.x are attached.

By the way, the example 12 can be run smoothly without any error using same 
group of pseudopotential.

Any help is very appreciated.

Regards,

shaofeng
--------------------------------------
Shaofeng Wang, Ph.D of Geochemistry
Environmental Molecular Science Group
Institute of Applied Ecology, Chinese Academy of Sciences
Shenyang, 110016, China
wangshaofeng at iae.ac.cn
www.iae.cas.cn 
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