[Pw_forum] post-proccesing using pwscf4.0 and PAW
chu-chun fu
chuchun.fu at cea.fr
Wed Jun 4 14:02:49 CEST 2008
Dear PWscf dvelopers,
I am using the new released PWscf-4.0 within quantum espresso. In
particular the new implemented PAW option to study FeCr system. I
realized that to compute density of electronic states DOS and projected
ones PDOS among the post-procceding utilities, there is format
incompability when performing PAW calculations.
I found that the problem comes from calling the file_data.xml file and
reading the 'pseudo' UPF file.
I will appreciate if you could fix this problem if possible ?
Kind Regards
Chu Chun FU
--
Chu Chun FU
DEN/DMN/SRMP CEA-Saclay
91191 Gif-sur-yvette Cedex
France
Tel: +33 1 69 08 29 32
Fax: +33 1 69 08 68 67
E-mail: chuchun.fu at cea.fr
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