[Pw_forum] Problem In Creating Contour 3D

, I did three calculations for three different systems and unfortunately the problems were still the same. Any comment and/or suggestions would be really appreciated. Many thanks in advance. Best Regards, Efi Dwi Indari Research Assistant, Bandung Institute of Technology ! ! Copyright (C) 2001-2007

[Pw_forum] Fortran runtime error: Bad real number in item 13 of list input

three calculations for three different systems and unfortunately the problems were still the same. Any comment and/or suggestions would be really appreciated. Many thanks in advance. Best Regards, Efi Dwi Indari Research Assistant, Bandung Institute of Technology ! ! Copyright (C) 2001-2007

[Pw_forum] Error in routine potinit (1): starting and expected charges differ

of compiler version. Besides, as I aim to compare the difference of smearing type, I also had run this calculation with 'mv' smearing but they both gave the same error message. Could any body please comment and/or give a suggestion for this case? Thank you very much in advance. Best Regards, Efi Dwi

[Pw_forum] Problem in running sumpdos.x

ase comment on this issue? I would really appreciate it. Thank you very much in advance. Best Regards, Efi Dwi Indari Research Assistant at Institut Teknologi Bandung ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

[Pw_forum] unexpected result of pdos calculation

. Any suggestion and/or comment would be really appreciated. Thanks in advance. Best Regards, Efi Dwi Indari Research Assistant of Institut Teknologi Bandung ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

[Pw_forum] RE : Regarding PDOS

Dear Mr. Sushant Kumar Behera, I use gnuplot. There is a nice tutorial at this following link : http://people.duke.edu/~hpgavin/gnuplot.html Hope it helps. Best Regards, Efi Dwi Indari Research Assistant Institut Teknologi Bandung ___ Pw_forum

[Pw_forum] error when executing projwfc.x

be appreciated. Thank you in advance. Best Regards, Efi Dwi Indari Research Assistant, Institut Teknologi Bandung ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

[Pw_forum] cannot get .projwfc.x bin in 5.x version

f ../W90/wannier90.x ] && ln -fs ../W90/wannier90.x ../bin/wannier90.x ; \ ) make: *** [links] Error 1 Any comment and/or suggestion on this issue would be really appreciated. Thank you all for your time. Best Regards, Efi Dwi Indari Research Assistant, Bandung Institute of Technology ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

[Pw_forum] Cannot obtained all expected eigenvalues

Dear all, Now I am calculating the electronic structure of Formamidinium Lead Iodide. In scf calculation, I already have changed the value of 'verbosity' to 'high' in order to print out all eigenvalues. From the interactive plotband.x bin command, I apply the value of the shown Emin and Emax

[Pw_forum] Calculating stable lattice parameter for non-cubic structure

not have any idea what to do with the orthorombic one. Any help would be really appreciated. Thank you in advance. Best Regards, Efi Dwi Indari Research assistant, Bandung Institute of Technology ___ Pw_forum mailing list Pw_forum@pwscf.org http

[Pw_forum] Error while parsing atomic position card.

the scf input file. I would really appreciate your help on this case. Thank you in advance. Best Regards, Efi Dwi Indari Research assistant at Physics Department Bandung Institute of Technology FAPIa.in Description: Binary data ___ Pw_forum mailing

[Pw_forum] Error in routine read_rho_xml (1): dimensions do not match

Dear all, I am now calculating the DOS of CsPbI3 using espresso-5.2.0 and would like to know the contribution of each atom. I succeeded in the calculation of Pb2+ and I3-, but I failed when I proceeded Cs+ nscf calculation. The error was as written on the title: Error in routine read_rho_xml

[Pw_forum] Charge is wrong : smearing is needed

tes. Thank you in advance. Best Regards, Efi Dwi Indari Institut Teknologi Bandung MA_241015b.scf.out Description: Binary data MA_241015b.scf.in Description: Binary data MA_231015a.scf.in Description: Binary data MA_231015a.scf.out Description: Binary d

[Pw_forum] No symmetry found

attached my files (both input and output) to have an idea about my system. Thank you in advance. Any help would be really appreciated. Efi Dwi Indari Institut Teknologi Bandung MAI_231015a.scf.out Description: Binary data MAI_231015a.scf.in Description: Binary data